SCHEMBL29965128

SCHEMBL29965128

O=c1[nH]c(C2CC2)nc2cc(B(O)O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
PARG Q86W56 1/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
PARP1 P09874 3/20 0.41
TYK2 P29597 1/20 0.38
ENPP2 Q13822 1/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP14 Q460N5 1/20 0.36
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK1 Q13464 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 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
SCHEMBL29964971 0.78 ROCK2 (0.49) ROCK2PARGTMIGD3ADORA1PARP1
SCHEMBL2656965 0.77 ROCK2 (0.45) ROCK2PARGTMIGD3ADORA1PARP1
SCHEMBL27157700 0.77 PARP1 (0.54) PARP1GAASMN1; SMN2CDC7DBF4
SCHEMBL16404341 0.74 PARP1 (0.62) ROCK2PARGPARP1
SCHEMBL28004053 0.74 PARP1 (0.62) ROCK2PARGPARP1
SCHEMBL29965041 0.73 TUBB4A (0.50) ROCK2PARGPARP1GAAALOX12
SCHEMBL28004582 0.72 ROCK2 (0.59) ROCK2PARGTMIGD3ADORA1PARP1
SCHEMBL29499002 0.72 PARP14 (0.48) ROCK2PARGTMIGD3ADORA1PARP14
SCHEMBL29499011 0.72 TUBB4A (0.49) ROCK2GAAALOX12SMN1; SMN2CDC7
SCHEMBL7710641 0.71 PARP14 (0.47) ROCK2PARGPARP1PARP14CDC7

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 ROCK2 4117/4885PARG 4641/4885TMIGD3 4302/4885

“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.