SCHEMBL29964174

SCHEMBL29964174

Nc1ncc(-c2ccc(N3CCCC3)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.52
ACVR1 Q04771 11/20 0.52
BMPR1B O00238 2/20 0.52
BMPR1A P36894 2/20 0.52
ACVRL1 P37023 2/20 0.52
FYN P06241 5/20 0.49
JAK2 O60674 1/20 0.46
IP6K1 Q92551 1/20 0.42

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
SCHEMBL24681285 1.00 TGFBR1 (0.52) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL29963887 0.98 TGFBR1 (0.54) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL24681169 0.88 FYN (0.59) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL29914537 0.87 FYN (0.65) TGFBR1ACVR1FYNJAK2
SCHEMBL24681500 0.87 FYN (0.65) TGFBR1ACVR1FYNJAK2
SCHEMBL24681257 0.86 JAK2 (0.47) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL29914411 0.86 JAK2 (0.47) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL24681263 0.81 MAP3K12 (0.45) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL24680772 0.81 MAP3K12 (0.45) TGFBR1ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL29914559 0.81 MAP3K12 (0.45) TGFBR1ACVR1BMPR1BBMPR1AACVRL1

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 TGFBR1 4134/4885ACVR1 3323/4885BMPR1B 2033/4885

“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.