SCHEMBL18310041

SCHEMBL18310041

CSc1ncc(Br)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
THRB P10828 3/20 0.49
RXFP1 Q9HBX9 9/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL23877936 0.81 NTRK1 (0.61) NTRK1NPSR1THRBRXFP1MAPT
SCHEMBL14970168 0.77 MAPT (0.54) NTRK1NPSR1MAPTKDM4E
SCHEMBL14648923 0.76 RXFP1 (0.59) NTRK1NPSR1THRBRXFP1MAPT
SCHEMBL6016541 0.76 THRB (0.66) NTRK1NPSR1THRBRXFP1MAPT
SCHEMBL9438517 0.76 ADORA2A (0.60) NTRK1NPSR1THRBRXFP1MAPT
SCHEMBL30560079 0.74 KMT2A (0.49) MAPTMEN1KMT2A
SCHEMBL15109675 0.74 KMT2A (0.49) MAPTMEN1KMT2A
SCHEMBL10220349 0.74 CKS1B (0.39) NTRK1NPSR1MAPTKDM4EMEN1
SCHEMBL16585633 0.73 NTRK1 (0.56) NTRK1NPSR1THRBRXFP1MAPT
SCHEMBL14422883 0.73 KDM4E (0.52) MAPTKDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-07-12 US disclosed
US-9902721-B2 N2-phenyl-pyrido[3,4-d]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-27 US disclosed
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-12-15 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 (2 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-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 NTRK1 1930/4885NPSR1 1414/4885THRB 2682/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 NTRK1 1930/4885NPSR1 1414/4885THRB 2682/4885

“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.