SCHEMBL14017262

SCHEMBL14017262

O=[N+]([O-])c1ccc(Oc2ncnn3ccc(Cl)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HSPB1 P04792 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE7A Q13946 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN4A P35499 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MYOC Q99972 1/20 0.35

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
SCHEMBL4818325 0.82 MET (0.44) HSPB1MEN1KMT2APDE7AMAPT
SCHEMBL14579508 0.77 MEN1 (0.43) ATMHSPB1MEN1KMT2ARXFP1
SCHEMBL14579510 0.75 KDR (0.47) ATMHSPB1MEN1KMT2ARXFP1
SCHEMBL14579511 0.73 MEN1 (0.40) ATMHSPB1MEN1KMT2ARXFP1
SCHEMBL26005853 0.73 ALDH1A1 (0.46) ATMHSPB1MEN1KMT2AHTT
SCHEMBL24168260 0.69 HSPB1 (0.47) ATMHSPB1MEN1KMT2AHTT
SCHEMBL4049919 0.68 MET (0.56) HSPB1MAPTSMN1; SMN2
SCHEMBL11379537 0.68 HSPB1 (0.49) ATMHSPB1MEN1KMT2ARXFP1
SCHEMBL1707043 0.68 PIN1 (0.58) ATMHSPB1MEN1KMT2ARXFP1
SCHEMBL24569945 0.68 PDE7A (0.52) MEN1KMT2APDE7ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7432373-B2 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-10-07 US disclosed
US-7348325-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-20070123534-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-31 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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-20070123534-A1 Pyrrolotriazine kinase inhibitors MAP3K15, MAP3K5, STK25 ATM 718/4885HSPB1 2803/4885MEN1 2108/4885

“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.