SCHEMBL4821999

SCHEMBL4821999

O=[N+]([O-])c1ccc(Oc2ncnn3cc(-c4cccnc4)cc23)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
MAP4K4 O95819 1/20 0.39
RAB9A P51151 1/20 0.39
HSPB1 P04792 3/20 0.39
S1PR4 O95977 1/20 0.38
MET P08581 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AXL P30530 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 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
SCHEMBL4818291 0.89 MAP4K4 (0.41) CYP19A1CYP11B1CYP11B2MAP4K4HSPB1
SCHEMBL18186600 0.85 AXL (0.44) CYP19A1CYP11B1CYP11B2RAB9AHSPB1
SCHEMBL4813333 0.84 MAP4K4 (0.42) CYP19A1CYP11B1CYP11B2MAP4K4MET
SCHEMBL12406059 0.80 HSPB1 (0.41) HSPB1S1PR4METSMN1; SMN2ALDH1A1
SCHEMBL4817688 0.78 MAP4K4 (0.44) MAP4K4HSPB1S1PR4METSMN1; SMN2
SCHEMBL4811162 0.78 MITF (0.39) MAP4K4RAB9AS1PR4METSMN1; SMN2
SCHEMBL22546943 0.76 HSPB1 (0.55) CYP19A1CYP11B1CYP11B2RAB9AHSPB1
SCHEMBL1137248 0.75 MET (0.53) CYP19A1CYP11B1CYP11B2RAB9AHSPB1
SCHEMBL31554532 0.73 HSPB1 (0.44) HSPB1S1PR4SMN1; SMN2AXLALDH1A1
SCHEMBL4817075 0.73 MET (0.65) MET

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 CYP19A1 1286/4885CYP11B1 1539/4885CYP11B2 1744/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 CYP19A1 2637/4885CYP11B1 1812/4885CYP11B2 1696/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 CYP19A1 1286/4885CYP11B1 1539/4885CYP11B2 1744/4885

“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.