SCHEMBL31079274

SCHEMBL31079274

COc1cc(OC2CCN(C(C)=O)CC2)ccc1-c1cc(-c2ccc3c(c2)CCNC3=O)c(N)nc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.40
MAPK1 P28482 1/20 0.40
OXTR P30559 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
CHEK2 O96017 1/20 0.39
IKBKB O14920 3/20 0.38
GSK3B P49841 1/20 0.38
CASP3 P42574 1/20 0.38
CDK9 P50750 1/20 0.38
CASP7 P55210 1/20 0.38
CHUK O15111 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PIK3CD O00329 2/20 0.36
PADI4 Q9UM07 1/20 0.36

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
SCHEMBL29964484 0.91 CHEK2 (0.44) MAPKAPK2MAPK1CHEK2IKBKBGSK3B
SCHEMBL29964044 0.91 CHEK2 (0.42) MAPKAPK2MAPK1ALDH1A1CHEK2
SCHEMBL29964617 0.89 MAPKAPK2 (0.40) MAPKAPK2MAPK1IKBKBGSK3BCHUK
SCHEMBL31079228 0.89 HRH3 (0.43) MAPKAPK2MAPK1
SCHEMBL31079235 0.89 HRH3 (0.43) MAPKAPK2MAPK1
SCHEMBL29964631 0.88 MAPK1 (0.44) MAPKAPK2MAPK1PARP10PARP11CD274
SCHEMBL31079321 0.86 MAPK1 (0.41) MAPKAPK2MAPK1IKBKBGSK3BCHUK
SCHEMBL31078998 0.84 MAPK1 (0.39) MAPKAPK2MAPK1CHEK2IKBKBGSK3B
SCHEMBL31079210 0.84 MAPK1 (0.39) MAPKAPK2MAPK1CHEK2IKBKBGSK3B
SCHEMBL29964212 0.84 TBK1 (0.43) MAPK1

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 1 patent. 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

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 141/4885OXTR 4822/4885

“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.