SCHEMBL29163370

SCHEMBL29163370

COC1CN(Cc2cc(-c3nc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)ccc2N2CCOCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
MAPKAPK2 P49137 2/20 0.32
PDE3B Q13370 4/20 0.32
PDE3A Q14432 4/20 0.32
LRRK2 Q5S007 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
CDK4 P11802 2/20 0.30
CCND1 P24385 2/20 0.30
CCND3 P30281 2/20 0.30
CDK6 Q00534 2/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL29163464 0.95 MAPK1 (0.33) MAPK1MAPKAPK2PDE3BPDE3ALRRK2
SCHEMBL29163280 0.95 MAPK1 (0.33) MAPK1MAPKAPK2PDE3BPDE3ALRRK2
SCHEMBL29163285 0.95 MAPK1 (0.33) MAPK1MAPKAPK2PDE3BPDE3ALRRK2
SCHEMBL29163343 0.94 TNF (0.34) MAPK1MAPKAPK2PDE3BPDE3ALRRK2
SCHEMBL29163360 0.92 MAPK1 (0.38) MAPK1MAPKAPK2PDE3BPDE3AGABRG2
SCHEMBL31079232 0.90 MAPK1 (0.34) MAPK1MAPKAPK2PDE3BPDE3ALRRK2
SCHEMBL29163283 0.90 MAPK1 (0.34) MAPK1PDE3BPDE3ALRRK2CDK4
SCHEMBL29163382 0.89 MAPK1 (0.33) MAPK1PDE3BPDE3ALRRK2CDK4
SCHEMBL27159896 0.88 MAPK1 (0.39) MAPK1MAPKAPK2GABRG2GABRB3GABRA5
SCHEMBL29163324 0.88 MAPK1 (0.39) MAPK1MAPKAPK2GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
CN-117597336-A Halogen 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

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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 MAPK1 420/4885MAPKAPK2 176/4885PDE3B 2261/4885

“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.