SCHEMBL29964504

SCHEMBL29964504

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.38
TBK1 Q9UHD2 1/20 0.37
MAPKAPK2 P49137 4/20 0.37
PDK4 Q16654 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP10 Q53GL7 4/20 0.37
PARP11 Q9NR21 4/20 0.37
GSK3B P49841 1/20 0.36
TNK2 Q07912 1/20 0.36
ATR Q13535 2/20 0.36
PRF1 P14222 1/20 0.36
BTK Q06187 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK9 P45984 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
SCHEMBL31079388 1.00 CDK9 (0.38) CDK9TBK1MAPKAPK2PDK4MAPK1
SCHEMBL29964346 0.93 CDK9 (0.42) CDK9PDK4TNK2ATRBTK
SCHEMBL31079181 0.93 CDK9 (0.42) CDK9PDK4TNK2ATRBTK
SCHEMBL29965070 0.86 ESR2 (0.46) MAPKAPK2MAPK1PARP10PARP11GSK3B
SCHEMBL29964258 0.86 NR1H2 (0.50) MAPKAPK2MAPK1PARP10PARP11GSK3B
SCHEMBL29964997 0.86 RET (0.40) CDK9MAPKAPK2MAPK1GSK3BATR
SCHEMBL29965247 0.85 MAPK1 (0.40) MAPKAPK2MAPK1PARP10PARP11GSK3B
SCHEMBL29964575 0.85 MAPKAPK2 (0.37) MAPKAPK2MAPK1PARP10PARP11GSK3B
SCHEMBL29964262 0.84 MAPK1 (0.45) MAPK1GSK3BNAMPT
SCHEMBL29964361 0.84 JAK2 (0.37) MAPKAPK2MAPK1PARP10PARP11GSK3B

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 CDK9 150/4885TBK1 1120/4885MAPKAPK2 79/4885

“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.