SCHEMBL29964394

SCHEMBL29964394

CC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.40
CDK4 P11802 5/20 0.40
CDK2 P24941 5/20 0.40
CCND1 P24385 4/20 0.40
CDK6 Q00534 4/20 0.40
CCNT1 O60563 3/20 0.40
CCND3 P30281 3/20 0.40
CDK9 P50750 3/20 0.40
CCNH P51946 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK7 P50613 2/20 0.40
MNAT1 P51948 2/20 0.40
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
OGA O60502 3/20 0.35
CCNE1 P24864 1/20 0.34
TTK P33981 1/20 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
SCHEMBL29964599 0.89 ALK (0.38) F12CDK4CDK2CCND1CDK6
SCHEMBL29964437 0.89 CDK4 (0.49) CDK4CDK2CCND1CDK6CCNT1
SCHEMBL29964408 0.88 CDK4 (0.39) CDK4CDK2CCND1CDK6CCNT1
SCHEMBL29964427 0.85 ATM (0.41) CDK4CDK2CCND1CDK6CCNT1
SCHEMBL29964553 0.84 SMARCA2 (0.37) CDK4CDK2CCND1CDK6CCNT1
SCHEMBL29964723 0.83 ALK (0.37) F12CDK4CDK2CCND1CDK6
SCHEMBL31079246 0.82 F12 (0.39) F12CDK4CDK2CCND1CDK6
SCHEMBL29964459 0.81 ALK (0.37) F12CDK4CDK2CCND1CDK6
SCHEMBL31079384 0.81 ASIC3 (0.37) F12CDK4CDK2CDK6CCNA2
SCHEMBL31079313 0.80 PARP1 (0.42) CDK4CDK2CCND1CDK6CCNT1

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 F12 2807/4885CDK4 258/4885CDK2 236/4885

“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.