SCHEMBL31079233

SCHEMBL31079233

COCCN1CCc2cc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.38
CD274 Q9NZQ7 1/20 0.36
CD38 P28907 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAPK9 P45984 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE1 P56817 1/20 0.33
MAPK1 P28482 2/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP11 Q9NR21 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL29964207 0.92 MAPKAPK2 (0.40) MAPKAPK2CD274CD38ACVR1MAPK9
SCHEMBL29964608 0.85 FGFR1 (0.39) MAPKAPK2ACVR1CDK4CCND1CCND3
SCHEMBL29964120 0.84 DRD2 (0.38) MAPKAPK2KCNH2MAPK1PARP1
SCHEMBL31079336 0.83 MAPKAPK2 (0.37) MAPKAPK2CD274MAPK9MAPK1PARP10
SCHEMBL31079175 0.82 MAPKAPK2 (0.38) MAPKAPK2CD274MAPK9MAPK1PARP10
SCHEMBL31079141 0.82 ASIC3 (0.37) MAPKAPK2
SCHEMBL29964610 0.81 TBK1 (0.37) KCNH2
SCHEMBL29964480 0.80 ESR2 (0.44) MAPKAPK2CD274MAPK1PARP1
SCHEMBL29964850 0.79 MAPKAPK2 (0.39) MAPKAPK2MAPK9MAPK1PARP10PARP11
SCHEMBL29965033 0.79 PARP10 (0.39) MAPKAPK2CD274MAPK9MAPK1PARP10

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 79/4885CD274 4091/4885CD38 1691/4885

“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.