SCHEMBL1959494

SCHEMBL1959494

COc1ccc(C=C(C#N)c2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ EGFR P00533 2/20 1.00
▸ RECQL P46063 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ PDGFRB P09619 1/20 1.00
▸ PDGFRA P16234 1/20 1.00
▸ MAPT P10636 4/20 0.60
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP1A1 P04798 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CLK1 P49759 2/20 0.52
▸ DYRK1A Q13627 2/20 0.52

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
SCHEMBL29800237 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL31060645 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL241869 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957337 0.99 SMN1; SMN2 (0.98) SMN1; SMN2EGFRRECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957339 0.99 SMN1; SMN2 (0.98) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782221 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782225 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782228 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL17232854 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL17232864 0.87 SMN1; SMN2 (0.77) SMN1; SMN2EGFRRECQLHIF1APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
US-5302606-A Administering to inhibit cell proliferation RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-04-12 — — US claimed
EP-0525109-A4 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE — 1993-06-30 — — EP claimed
EP-0525109-A1 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-02-03 — — EP claimed
WO-1991016051-A1 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE RHÔNE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-10-31 — — WO claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP disclosed
US-5677329-A ANTAGONIST TO EPIDERMAL GROWTH FACTOR RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-14 — — US disclosed
US-5597837-A Method and composition for treating psoriasis with styryl-substituted pyridyl compounds Rh one-Poulenc Rorer Pharmaceuticals Inc. (US) 1997-01-28 — — US disclosed
US-5302606-A Administering to inhibit cell proliferation RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-04-12 — — US disclosed
EP-0525109-A4 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE — 1993-06-30 — — EP disclosed
EP-0525109-A1 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-02-03 — — EP disclosed
WO-1991016051-A1 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE RHÔNE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-10-31 — — 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 (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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 SMN1; SMN2 4826/4885EGFR 830/4885RECQL 363/4885

“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.

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