SCHEMBL3584791

SCHEMBL3584791

COc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)nc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
IGF1R P08069 1/20 0.56
IGF2R P11717 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.51
RECQL P46063 1/20 0.51
HIF1A Q16665 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 6/20 0.49
USP2 O75604 2/20 0.49
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
CSNK2A1 P68400 2/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 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
SCHEMBL3584799 1.00 EGFR (0.56) EGFRIGF1RIGF2RSMN1; SMN2RECQL
SCHEMBL3588924 0.81 EGFR (0.58) EGFRSMN1; SMN2RECQLMEN1KMT2A
SCHEMBL3588928 0.81 EGFR (0.58) EGFRSMN1; SMN2RECQLMEN1KMT2A
SCHEMBL1446794 0.79 EGFR (0.50) EGFRIGF1RIGF2RSMN1; SMN2MEN1
SCHEMBL4998849 0.78 TUBB4A (0.64) EGFRIGF1RIGF2RSMN1; SMN2RECQL
SCHEMBL4998846 0.78 TUBB4A (0.64) EGFRIGF1RIGF2RSMN1; SMN2RECQL
SCHEMBL3576562 0.72 FTO (0.65) EGFRRECQLMEN1KMT2AMAPT
SCHEMBL3576558 0.72 FTO (0.65) EGFRRECQLMEN1KMT2AMAPT
SCHEMBL4990101 0.72 MEN1 (0.59) EGFRIGF1RIGF2RSMN1; SMN2RECQL
SCHEMBL4990088 0.72 MEN1 (0.59) EGFRIGF1RIGF2RSMN1; SMN2RECQL

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
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 EGFR 4139/4885IGF1R 4823/4885IGF2R 4781/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 EGFR 4139/4885IGF1R 4823/4885IGF2R 4781/4885

“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.