SCHEMBL29964346

SCHEMBL29964346

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.42
PDK4 Q16654 1/20 0.42
NAMPT P43490 1/20 0.42
TNK2 Q07912 2/20 0.42
ATR Q13535 2/20 0.41
GRM1 Q13255 5/20 0.41
GRM5 P41594 4/20 0.41
BTK Q06187 1/20 0.41
CYP11B2 P19099 1/20 0.41
CDK7 P50613 1/20 0.40
CDK13 Q14004 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
CCNT1 O60563 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL31079181 1.00 CDK9 (0.42) CDK9PDK4NAMPTTNK2ATR
SCHEMBL31079388 0.93 CDK9 (0.38) CDK9PDK4NAMPTTNK2ATR
SCHEMBL29964504 0.93 CDK9 (0.38) CDK9PDK4NAMPTTNK2ATR
SCHEMBL29964221 0.91 GRM1 (0.41) CDK9PDK4NAMPTTNK2ATR
SCHEMBL29964258 0.87 NR1H2 (0.50)
SCHEMBL29965070 0.87 ESR2 (0.46)
SCHEMBL12495173 0.87 CYP11B2 (0.50) CDK9PDK4NAMPTTNK2ATR
SCHEMBL29964997 0.87 RET (0.40) CDK9NAMPTATRCDK7CCNT1
SCHEMBL29964262 0.85 MAPK1 (0.45) NAMPT
SCHEMBL29965015 0.85 CHEK2 (0.47) PRMT5WDR77

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 150/4885PDK4 293/4885NAMPT 1238/4885

“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.