SCHEMBL1014652

SCHEMBL1014652

COC(=O)c1cnc(C)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ATR Q13535 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL1602748 0.84 NFKB1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL30110408 0.84 NFKB1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL427402 0.83 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL19134228 0.82 TSHR (0.46) ALDH1A1KDM4EMAPTTSHRCFTR
SCHEMBL8590367 0.81 RAB9A (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL22120120 0.80 ATM (0.41) ALDH1A1KDM4ENFKB1NFKB2RELA
SCHEMBL12123836 0.79 POLB (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL10585289 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL4274478 0.79 HPGD (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3055707 0.79 NPSR1 (0.39) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044774-B EGFR inhibitor and preparation method and application thereof 光武惠文生物科技(北京)有限公司 2024-04-09 CN disclosed
CN-114044774-A EGFR inhibitor and preparation method and application thereof 北京超维知药科技有限公司 2022-02-15 CN disclosed
EP-2914580-B1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2019-02-20 EP disclosed
US-9447044-B2 Thioaryl derivatives as GPR120 agonists LG LIFE SCIENCES LTD. (KR) 2016-09-20 US disclosed
US-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2015-10-15 US disclosed
EP-2914580-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2015-09-09 EP disclosed
WO-2014069963-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-05-08 WO disclosed
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US 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 (2 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 ALDH1A1 53/4885KDM4E 1727/4885SMN1; SMN2 2203/4885
US-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GCGR ALDH1A1 1822/4885KDM4E 2840/4885SMN1; SMN2 4477/4885

“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.