SCHEMBL29914564

SCHEMBL29914564

Nc1ncc(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
PARP10 Q53GL7 3/20 0.45
PARP11 Q9NR21 3/20 0.45
KCNH2 Q12809 2/20 0.44
ASIC3 Q9UHC3 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK6 Q00534 1/20 0.43
RIPK2 O43353 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TGFBR1 P36897 5/20 0.42
ACVR1 Q04771 4/20 0.42

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
SCHEMBL24680781 1.00 MAPK1 (0.48) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL29914419 0.92 ASIC3 (0.52) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL24680779 0.92 ASIC3 (0.52) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL24680849 0.91 MAPK1 (0.55) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL24680880 0.88 MAPK1 (0.44) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL29914548 0.88 MAPK1 (0.44) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL31079305 0.86 CCNT1 (0.43) MAPK1PARP10PARP11ASIC3CCNT1
SCHEMBL24681143 0.86 MAPK1 (0.42) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL29914518 0.86 MAPK1 (0.42) MAPK1PARP10PARP11KCNH2ASIC3
SCHEMBL24681372 0.83 ACVR1 (0.59) MAPK1CCNT1CDK4CCNA2CCND1

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 3 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-2022226667-A1 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
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 MAPK1 141/4885PARP10 2072/4885PARP11 1176/4885

“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.