SCHEMBL31079264

SCHEMBL31079264

Nc1nc(F)c(-c2ccc(C3CCN(CC4CC4)CC3)cc2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CDC7 O00311 1/20 0.37
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
MCHR1 Q99705 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
DRD2 P14416 1/20 0.33
RIPK3 Q9Y572 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL29964525 0.91 MAPK1 (0.39) MAPK1CDC7TLR9TLR8TLR7
SCHEMBL31079128 0.90 MAPK1 (0.38) MAPK1CDC7TLR9TLR8TLR7
SCHEMBL31079093 0.89 MAPK1 (0.38) MAPK1CDC7TLR9TLR8TLR7
SCHEMBL29963719 0.89 HRH3 (0.44) MAPK1CDC7MCHR1PARP1PARP2
SCHEMBL29965136 0.89 ADORA2A (0.40) MAPK1CDC7MCHR1PARP1PARP2
SCHEMBL29964120 0.87 DRD2 (0.38) MAPK1TLR9TLR8TLR7PARP1
SCHEMBL31079288 0.86 MAPK1 (0.38) MAPK1CDC7TLR9TLR8TLR7
SCHEMBL29964513 0.86 CDC7 (0.35) MAPK1CDC7MCHR1PARP1PARP2
SCHEMBL29964754 0.86 MAPK1 (0.42) MAPK1PARP1PARP2
SCHEMBL31079182 0.86 MAPK1 (0.39) MAPK1CDC7TLR9TLR8TLR7

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 MAPK1 141/4885CDC7 206/4885TLR9 4748/4885

“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.