SCHEMBL2867175

SCHEMBL2867175

Nc1n[c]c2[nH]cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PDPK1 O15530 1/20 0.46
GDA Q9Y2T3 1/20 0.46
CDK2 P24941 10/20 0.43
DPP4 P27487 1/20 0.43
MAP3K5 Q99683 1/20 0.40
CDK1 P06493 10/20 0.38
CCNB1 P14635 10/20 0.38
CCNA2 P20248 9/20 0.38
CCNA1 P78396 9/20 0.38
PIN1 Q13526 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MGMT P16455 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7496566 0.78 ADORA3 (0.32) ALDH1A1PDPK1GDAMAP3K5ADORA2A
SCHEMBL9045356 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2875131 0.76 KDM4E (0.46) ALDH1A1DPP4XDH
SCHEMBL7491987 0.72 CDK1 (0.33) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL7484180 0.69 CDK1 (0.34) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4100707 0.68
SCHEMBL6535 0.68 ALDH1A1 (0.33) ALDH1A1PDPK1GDACDK2DPP4
SCHEMBL7490134 0.67 PAK1 (0.39) ALDH1A1CDK2CDK1CCNB1CCNA2
SCHEMBL7491723 0.66 CDK1 (0.39) ALDH1A1CDK2CDK1CCNB1CCNA2
SCHEMBL132015 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 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-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
EP-3152195-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2015187088-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-0448726-B1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-04-24 EP disclosed
US-5338844-A 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient TEIJIN LIMITED (JP) 1994-08-16 US disclosed
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 US disclosed
EP-0448726-A1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-10-02 EP 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 (9 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-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP ALDH1A1 1161/4885PDPK1 4043/4885GDA 1155/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885PDPK1 3727/4885GDA 1198/4885
US-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD ALDH1A1 103/4885PDPK1 1343/4885GDA 1013/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER MTHFD1, MTHFD2, DPYD ALDH1A1 103/4885PDPK1 1343/4885GDA 1013/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885PDPK1 3727/4885GDA 1198/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT ALDH1A1 240/4885PDPK1 1532/4885GDA 1694/4885

“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.