SCHEMBL27157741

SCHEMBL27157741

CC(C)C1CCCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)n3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ CDK4 P11802 3/20 0.45
▸ CCND1 P24385 3/20 0.45
▸ CCND3 P30281 3/20 0.45
▸ CDK6 Q00534 3/20 0.45
▸ CCNT1 O60563 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CCNH P51946 2/20 0.45
▸ MNAT1 P51948 2/20 0.45
▸ CHEK1 O14757 1/20 0.41
▸ ATR Q13535 6/20 0.41
▸ GSK3B P49841 2/20 0.39
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL27157811 0.92 CDK4 (0.46) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL29914522 0.87 MAPK1 (0.53) MAPK1TGFBR1ACVR1MAPKAPK2
SCHEMBL24680493 0.87 MAPK1 (0.53) MAPK1TGFBR1ACVR1MAPKAPK2
SCHEMBL27158001 0.86 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157533 0.86 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157990 0.86 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27158187 0.85 MAPK1 (0.46) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157871 0.85 MAPK1 (0.46) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157856 0.85 MAPK1 (0.46) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157752 0.84 CHEK1 (0.48) MAPK1CDK4CCND1CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-09-26 — — US disclosed
EP-4330252-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 — — EP disclosed
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — 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 (1 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-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, PHKA1 MAPK1 499/4885CDK4 280/4885CCND1 700/4885

“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.

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