SCHEMBL29964330

SCHEMBL29964330

Nc1nc(F)c(-c2ccc(OC3CCNCC3)c(C(F)(F)F)c2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 1/20 0.43
PARP10 Q53GL7 5/20 0.41
PARP11 Q9NR21 5/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAPKAPK2 P49137 6/20 0.37
MAPK9 P45984 1/20 0.37
GSK3B P49841 1/20 0.36
METAP2 P50579 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL29964382 0.90 ALOX5AP (0.45) MAPK1PARP10PARP11ALOX5APFEN1
SCHEMBL31079270 0.88 MAPK1 (0.39) CTSSCTSKMAPK1PARP10PARP11
SCHEMBL31079229 0.88 MAPK1 (0.39) CTSSCTSKMAPK1PARP10PARP11
SCHEMBL29964697 0.88 MAPK1 (0.45) MAPK1PARP10PARP11ALOX5APFEN1
SCHEMBL31079210 0.88 MAPK1 (0.39) CTSSCTSKMAPK1PARP10PARP11
SCHEMBL29964377 0.87 MAPK1 (0.43) MAPK1PARP10PARP11ALOX5APFEN1
SCHEMBL31079134 0.86 MAPK1 (0.45) MAPK1PARP10PARP11ALOX5APFEN1
SCHEMBL29964340 0.86 MAPK1 (0.48) MAPK1PARP10PARP11ALOX5APFEN1
SCHEMBL31078973 0.86 MAPK1 (0.37) CTSSCTSKMAPK1PARP10PARP11
SCHEMBL31079424 0.85 GPR119 (0.39) MAPK1ALOX5APFEN1GSK3B

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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 CTSS 3361/4885CTSK 613/4885MAPK1 141/4885

“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.