SCHEMBL2865783

SCHEMBL2865783

O=C(O)c1ccc(N(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 5/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL17040204 0.84 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL2029621 0.84 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL22972761 0.84 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL15569594 0.78 BCL2L1 (0.58) TSHRTP53SRD5A2CA1CA2
SCHEMBL2596293 0.78 TSHR (0.59) TSHRTP53SRD5A2CA1CA2
SCHEMBL1246652 0.78 TSHR (0.59) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL175823 0.78 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL2511919 0.78 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1655 0.78 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL5053781 0.78 TSHR (1.00) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513818-B1 HETEROCYCLIC INHIBITORS OF VEGFR-2 KINASES BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1513818-A4 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-10-04 EP disclosed
US-7084160-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US disclosed
EP-1513818-A2 HETEROCYCLIC INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004001059-A2 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 WO 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-20060135576-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 TSHR 1926/4885TP53 466/4885SRD5A2 2095/4885
US-20040077696-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 TSHR 1702/4885TP53 478/4885SRD5A2 1784/4885

“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.