SCHEMBL31079384

SCHEMBL31079384

CC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cc2C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.37
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 2/20 0.33
OGA O60502 1/20 0.33
WDR5 P61964 3/20 0.33
MAPKAPK2 P49137 1/20 0.33
PARP10 Q53GL7 2/20 0.33
NOTUM Q6P988 1/20 0.33
PARP11 Q9NR21 1/20 0.33
F12 P00748 1/20 0.32
CDK4 P11802 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
SCHEMBL31079167 0.92 ASIC3 (0.45) ASIC3PDE3BPDE3AFLT3SYK
SCHEMBL29964191 0.90 CCNT1 (0.38) ASIC3PDE3BPDE3ACCNA2CDK2
SCHEMBL29964599 0.86 ALK (0.38) SYKCCNA2CDK2OGAMAPKAPK2
SCHEMBL31079141 0.86 ASIC3 (0.37) ASIC3PDE3BPDE3AWDR5MAPKAPK2
SCHEMBL29963694 0.86 SMARCA2 (0.38) ASIC3WDR5
SCHEMBL29964427 0.83 ATM (0.41) CCNA2CDK2CDK4CDK6
SCHEMBL31079368 0.83 ASIC3 (0.49) ASIC3PDE3BPDE3AFLT3SYK
SCHEMBL29964885 0.83 MAPKAPK2 (0.36) CCNA2CDK2WDR5MAPKAPK2PARP10
SCHEMBL29964394 0.81 F12 (0.40) FLT3SYKCCNA2CDK2OGA
SCHEMBL31079336 0.81 MAPKAPK2 (0.37) CCNA2CDK2MAPKAPK2PARP10PARP11

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 ASIC3 3017/4885PDE3B 2870/4885PDE3A 2532/4885

“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.