SCHEMBL2221978

SCHEMBL2221978

COC(=O)c1cnc(SC)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.45
SYK P43405 1/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL423187 0.84 MEN1 (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL29897636 0.84 MEN1 (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL19100943 0.83 ALDH1A1 (0.51) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL5824244 0.83 ALDH1A1 (0.47) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL3518634 0.82 ALDH1A1 (0.46) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL7563419 0.82 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1TP53LMNA
SCHEMBL22056715 0.82 ALDH1A1 (0.46) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL5211841 0.82 MEN1 (0.47) AHRMEN1KMT2AALDH1A1TP53
SCHEMBL13849276 0.81 AHR (0.47) AHRRAB9ANPC1MEN1KMT2A
SCHEMBL5198021 0.81 RAB9A (0.65) AHRRAB9ANPC1MEN1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239165-A1 PHENYLSULFONAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-12-14 WO disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
US-20230123268-A1 AMINO-PYRIMIDINE CYCLO-AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20230123268-A1 AMINO-PYRIMIDINE CYCLO-AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4161928-A2 AMINO-PYRIMIDINE CYCLO-AMIDES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
CN-115515960-A Aminopyrimidine cyclic amides 豪夫迈·罗氏有限公司 2022-12-23 CN disclosed
WO-2022256680-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS WEE1 KINASE INHIBITORS ATRIN PHARMACEUTICALS (US) 2022-12-08 WO disclosed
WO-2021249904-A2 AMINO-PYRIMIDINE CYCLO-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
WO-2021249904-A2 AMINO-PYRIMIDINE CYCLO-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
WO-2011083316-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
WO-2011083316-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 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 (3 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-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES QDPR, P2RY1, REN AHR 419/4885RAB9A 1611/4885NPC1 1072/4885
US-20230123268-A1 AMINO-PYRIMIDINE CYCLO-AMIDES ATXN2, ATXN2L, ATXN10 AHR 426/4885RAB9A 1899/4885NPC1 4047/4885
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 AHR 1644/4885RAB9A 569/4885NPC1 4699/4885

“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.