SCHEMBL29964638

SCHEMBL29964638

COc1cc2c(cc1-c1cc(-c3ccc4c(c3)CCNC4=O)c(N)nc1F)CN(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.42
MAPK1 P28482 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SLC6A4 P31645 1/20 0.39
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 3/20 0.38
MAPK9 P45984 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TNK2 Q07912 2/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL29964992 0.88 PARP10 (0.43) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL29964927 0.82 PARP10 (0.44) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL31079135 0.81 MAPK1 (0.44) MAPKAPK2MAPK1PARP10PARP11CD274
SCHEMBL29964253 0.80 PARP10 (0.40) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL31079103 0.79 PARP10 (0.55) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL31079169 0.78 MAPK1 (0.43) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL29964207 0.78 MAPKAPK2 (0.40) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL31079179 0.78 PARP10 (0.44) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL29964678 0.77 MAPK1 (0.45) MAPKAPK2MAPK1PARP10PARP11MAPK9
SCHEMBL29964631 0.77 MAPK1 (0.44) MAPKAPK2MAPK1PARP10PARP11MAPK9

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 MAPKAPK2 79/4885MAPK1 141/4885MAOA 4665/4885

“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.