SCHEMBL29964191

SCHEMBL29964191

Nc1nc(F)c(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK6 Q00534 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
NOTUM Q6P988 3/20 0.36
MTOR P42345 6/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP11 Q9NR21 1/20 0.35
CSF1R P07333 2/20 0.34
PARP1 P09874 1/20 0.34
RIOK2 Q9BVS4 3/20 0.34
PDE3B Q13370 2/20 0.34

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
SCHEMBL31079167 0.93 ASIC3 (0.45) CDK4CCNA2CDK2CCND3ASIC3
SCHEMBL31079305 0.91 CCNT1 (0.43) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079384 0.90 ASIC3 (0.37) CDK4CCNA2CDK2CDK6ASIC3
SCHEMBL29963694 0.86 SMARCA2 (0.38) ASIC3
SCHEMBL31079141 0.86 ASIC3 (0.37) ASIC3PDE3BPDE3A
SCHEMBL29964712 0.85 CCNT1 (0.47) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL29964555 0.85 CDK4 (0.37) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079368 0.83 ASIC3 (0.49) CDK4CCNA2CDK2CCND3ASIC3
SCHEMBL29964885 0.83 MAPKAPK2 (0.36) CCNT1CDK4CCNA2CCND1CDK2
Trifluoroacetic Acid SCHEMBL29964747 0.83 CCNT1 (0.43) CCNT1CDK4CCNA2CCND1CDK2

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 CCNT1 604/4885CDK4 258/4885CCNA2 1642/4885

“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.