SCHEMBL4818325

SCHEMBL4818325

O=[N+]([O-])c1ccc(Oc2ncnn3ccc(Cl)c23)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.44
HSPB1 P04792 4/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE7A Q13946 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL4049919 0.88 MET (0.56) METHSPB1S1PR4MAPTSMN1; SMN2
SCHEMBL14017503 0.85 MET (0.43) METHSPB1S1PR4MAPTSMN1; SMN2
SCHEMBL14017262 0.82 ATM (0.42) HSPB1MAPTSMN1; SMN2NPSR1MEN1
SCHEMBL4817538 0.81 MET (0.45) METEGFRKDR
SCHEMBL12406059 0.80 HSPB1 (0.41) METHSPB1S1PR4MAPTSMN1; SMN2
SCHEMBL4817688 0.80 MAP4K4 (0.44) METHSPB1S1PR4MAPTSMN1; SMN2
SCHEMBL4052565 0.79 MET (0.56) METHSPB1S1PR4KDR
SCHEMBL4814662 0.79 MET (0.55) MET
SCHEMBL24167962 0.76 HSPB1 (0.48) HSPB1S1PR4MAPTPOLBMEN1
SCHEMBL3570877 0.76 HSPB1 (0.44) HSPB1S1PR4MAPTSMN1; SMN2KDR

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 9 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-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885HSPB1 2930/4885S1PR4 4018/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885HSPB1 2677/4885S1PR4 1787/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885HSPB1 2930/4885S1PR4 4018/4885

“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.