SCHEMBL29964754

SCHEMBL29964754

Nc1nc(F)c(-c2ccc(C3CCNCC3)cc2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TNKS O95271 4/20 0.39
TNKS2 Q9H2K2 4/20 0.39
PARP10 Q53GL7 3/20 0.36
PARP11 Q9NR21 2/20 0.36
PARP1 P09874 4/20 0.36
KCNH2 Q12809 2/20 0.36
JAK2 O60674 1/20 0.34
GSK3B P49841 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL29965113 0.93 MAPK1 (0.38) MAPK1TNKSTNKS2PARP1GSK3B
SCHEMBL29964049 0.89 MAPK1 (0.55) MAPK1TNKSTNKS2PARP10PARP11
SCHEMBL29965086 0.87 PRKCZ (0.41) MAPK1PARP10PARP11PARP1KCNH2
SCHEMBL31079182 0.87 MAPK1 (0.39) MAPK1TNKSTNKS2PARP10PARP11
SCHEMBL29964525 0.87 MAPK1 (0.39) MAPK1TNKSTNKS2PARP1KCNH2
SCHEMBL31079264 0.86 MAPK1 (0.38) MAPK1PARP1PARP2
SCHEMBL31079128 0.86 MAPK1 (0.38) MAPK1TNKSTNKS2PARP10PARP11
SCHEMBL31079093 0.85 MAPK1 (0.38) MAPK1TNKSTNKS2PARP10PARP11
SCHEMBL29914545 0.85 MAPK1 (0.51) MAPK1TNKSTNKS2PARP10PARP11
SCHEMBL29964793 0.84 MAPK1 (0.42) MAPK1TNKSTNKS2PARP10PARP11

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 MAPK1 141/4885TNKS 280/4885TNKS2 467/4885

“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.