SCHEMBL22220643

SCHEMBL22220643

O=c1[nH]c(=O)c2cnc(Cl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TYRO3 Q06418 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
CHEK1 O14757 2/20 0.39
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 1/20 0.39
XDH P47989 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL21686845 0.85 GABRP (0.50) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL30672840 0.85 GABRP (0.50) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL25427912 0.82 IMPDH2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL12941910 0.80 TYRO3 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2TYRO3
SCHEMBL16964686 0.77 DAO (0.50) KDM4EALDH1A1HPGDSMN1; SMN2TYRO3
SCHEMBL3265232 0.73 LCK (0.42) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL23234575 0.72 GRIN2D (0.54) KDM4EALDH1A1HPGDSMN1; SMN2CHEK1
SCHEMBL3669922 0.72 GRIN2D (0.54) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL14828969 0.70 KDM4E (0.45) KDM4EALDH1A1PARP1TYRO3DYRK1B
SCHEMBL4950563 0.70 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PARP1

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
CN-116472047-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-06-17 CN disclosed
CN-119060049-A Pyridopyrimidine derivatives serving as small GTPase KRAS mutation inhibitors 思路迪生物医药(上海)有限公司 2024-12-03 CN disclosed
CN-118215663-A Pyridopyrimidine derivatives serving as small GTPase KRAS mutation inhibitors 思路迪生物医药(上海)有限公司 2024-06-18 CN disclosed
CN-116472047-A Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-07-21 CN disclosed
WO-2023098832-A1 PYRIDOPYRIMIDINE DERIVATIVES SERVING AS SMALL GTP ENZYME KRAS MUTATION INHIBITORS 思路迪生物医药(上海)有限公司 2023-06-08 WO disclosed
WO-2023098832-A1 PYRIDOPYRIMIDINE DERIVATIVES SERVING AS SMALL GTP ENZYME KRAS MUTATION INHIBITORS 思路迪生物医药(上海)有限公司 2023-06-08 WO disclosed
CN-116217591-A Pyridopyrimidine derivatives serving as KRAS G12D mutation inhibitors 思路迪生物医药(上海)有限公司 2023-06-06 CN disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 WO disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 WO disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 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 (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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KDM4E 3689/4885ALDH1A1 3370/4885HPGD 1741/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KDM4E 3689/4885ALDH1A1 3370/4885HPGD 1741/4885

“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.