SCHEMBL4512166

SCHEMBL4512166

CC(Nc1nc(Cl)n2cc(Br)cc2n1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR2C P28335 2/20 0.39
HTR6 P50406 2/20 0.39
EGFR P00533 2/20 0.39
NTRK1 P04629 5/20 0.39
GRK6 P43250 3/20 0.37
GPR139 Q6DWJ6 1/20 0.36
P2RX3 P56373 1/20 0.36
IDH1 O75874 2/20 0.36

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
SCHEMBL1365887 0.73 NTRK1 (0.50) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL1365884 0.73 NTRK1 (0.50) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL26614705 0.68 HDAC6 (0.54) EGFRNTRK1
SCHEMBL26614702 0.68 HDAC6 (0.54) EGFRNTRK1
SCHEMBL4509392 0.67 GPR139 (0.44) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4372820 0.66 HTR7 (0.61) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL13676577 0.65 HTR7 (0.37) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL13676629 0.65 HTR7 (0.37) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL3921915 0.65 HTT (0.30)
SCHEMBL27850423 0.65 HTR7 (0.52) HTR7ADRA1DADRA1AADRA1BHTR2C

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
EP-2049542-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-7605160-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-03-06 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-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK1, NTRK3 HTR7 962/4885ADRA1D 2234/4885ADRA1A 1969/4885

“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.