SCHEMBL29964405

SCHEMBL29964405

CC1(C)CNC(=O)c2ccc(-c3cc(Br)c(F)nc3N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.37
▸ CTSD P07339 3/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ MAPKAPK2 P49137 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PARP10 Q53GL7 3/20 0.32
▸ PARP11 Q9NR21 3/20 0.32
▸ RIPK3 Q9Y572 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ PARP15 Q460N3 1/20 0.30
▸ PARP14 Q460N5 1/20 0.30
▸ TIPARP Q7Z3E1 1/20 0.30
▸ PARP16 Q8N5Y8 1/20 0.30

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
SCHEMBL29964679 0.87 MAPKAPK2 (0.39) CDC7MAPKAPK2MAPK1
SCHEMBL29964994 0.83 MKNK1 (0.37) CTSDBACE1ALOX5APFEN1
SCHEMBL29964097 0.78 MAPK1 (0.53) MAPKAPK2MAPK1PARP10PARP11
SCHEMBL31079382 0.78 HTT (0.41) CDC7CTSDBACE1MAPKAPK2MAPK1
SCHEMBL31079283 0.76 ADORA2A (0.40) —
SCHEMBL29964550 0.76 GSK3B (0.45) MAPKAPK2MAPK1ALOX5APFEN1JAK2
SCHEMBL25211481 0.73 CDC7 (0.38) CDC7MAPKAPK2LCKKITSRC
SCHEMBL30407400 0.73 CDC7 (0.38) CDC7MAPKAPK2LCKKITSRC
SCHEMBL31351771 0.71 CDC7 (0.39) CDC7PARP10
SCHEMBL27160212 0.71 PARP10 (0.32) PARP10PARP11

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 CDC7 206/4885CTSD 4123/4885BACE1 4686/4885

“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.

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