SCHEMBL2861660

SCHEMBL2861660

CN(C)S(=O)(=O)c1ccc(CCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
F2 P00734 2/20 0.58
TMPRSS4 Q9NRS4 2/20 0.58
CYP1A2 P05177 2/20 0.58
TP53 P04637 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
HTR6 P50406 2/20 0.55
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL20497339 0.98 F2 (0.59) CA2CA12CA1CA4CA6
SCHEMBL17085975 0.89 CA2 (0.47) CA2CA12CA1CA4CA6
Hydrochloric Acid SCHEMBL21110581 0.87 F2 (0.47) CA2CA12CA1CA4CA6
SCHEMBL1146125 0.84 PSIP1 (0.59) CA2CA12CA1CA4CA6
Hydrochloric Acid SCHEMBL5728345 0.82 CA1 (0.59) CA2CA12CA1CA4CA6
SCHEMBL8337020 0.82 CA2 (0.60) CA2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5106411 0.82 TPSAB1 (0.47) CA2CA12CA1CA4CA6
SCHEMBL23536562 0.81 CA2 (0.58) CA2CA12CA1CA4CA6
SCHEMBL5647044 0.81 ALDH1A1 (0.50) CA2TSHRLMNAALDH1A1HTT
SCHEMBL4687773 0.79 CA1 (0.56) CA2CA12CA1CA4CA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-2925744-B1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2020-12-30 EP disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
US-9944640-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-04-17 US disclosed
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-08-03 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
CN-101679321-A Pyrrolotriazine derivatives, the method that contains the composition of described derivative and use described derivatives for treating cancer and autoimmune disorder PROMETIC BIOSCIENCES INC 2010-03-24 CN disclosed
EP-2152676-A1 \"TRIAZINE DERIVATIVES, COMPOSITIONS CONTAINING SUCH DERIVATIVES, AND METHODS OF TREATMENT OF CANCER AND AUTOIMMUNE DISEASES USING SUCH DERIVATIVES\ ProMetic BioSciences Inc. (CA) 2010-02-17 EP disclosed
WO-2008131547-A1 'TRIAZINE DERIVATIVES, COMPOSITIONS CONTAINING SUCH DERIVATIVES, AND METHODS OF TREATMENT OF CANCER AND AUTOIMMUNE DISEASES USING SUCH DERIVATIVES' PROMETIC BIOSCIENCES INC. (CA) 2008-11-06 WO disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
EP-0355098-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES HUHTAMÄKI OY (FI) 1990-02-28 EP disclosed
WO-1988007991-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES Huhtamäki Oy (FI) 1988-10-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS CA2 2855/4885CA12 4312/4885CA1 4007/4885
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS CA2 2855/4885CA12 4312/4885CA1 4007/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS CA2 2855/4885CA12 4312/4885CA1 4007/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CA2 2134/4885CA12 4422/4885CA1 3170/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 CA2 4687/4885CA12 4183/4885CA1 4808/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CA2 2134/4885CA12 4422/4885CA1 3170/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CA2 2134/4885CA12 4422/4885CA1 3170/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CA2 2134/4885CA12 4422/4885CA1 3170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.