SCHEMBL29964669

SCHEMBL29964669

Nc1nc2cc(Br)ccc2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 16/20 0.63
QTRT1 Q9BXR0 1/20 0.59
DYRK1A Q13627 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL1029334 1.00 TYMS (0.63) TYMSQTRT1DYRK1AGAAMAPT
SCHEMBL6653029 0.80 TYMS (0.81) TYMS
SCHEMBL21089737 0.79 NPC1 (0.44) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL29440611 0.79 TYMS (0.63) TYMSGAAMAPTNPSR1
SCHEMBL13102494 0.79 TYMS (0.63) TYMSQTRT1MAPT
SCHEMBL30012731 0.79 NPC1 (0.44) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL3226572 0.79 TYMS (0.63) TYMSGAAMAPTNPSR1
SCHEMBL6455624 0.78 TYMS (1.00) TYMS
SCHEMBL25204007 0.76 ALDH1A1 (0.58) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL4973391 0.76 KDM4E (0.63) MAPT

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 TYMS 1583/4885QTRT1 2442/4885DYRK1A 317/4885

“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.