SCHEMBL2835404

SCHEMBL2835404

Cc1cc(C)nc(Oc2ccc(Br)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL25955921 0.84 NPC1 (0.37) HAO1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2829829 0.81 EGFR (0.44) EGFRKDRHAO1SMN1; SMN2CYP1A2
SCHEMBL25331492 0.78 NPSR1 (0.36) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL2831891 0.73 LIPE (0.35) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL2185810 0.73 EGFR (0.43) EGFRKDRHAO1MEN1KMT2A
SCHEMBL3654965 0.72 EGFR (0.45) EGFRKDRHAO1SLC6A4
SCHEMBL21863802 0.70 EGFR (0.43) EGFRKDRSLC6A4
SCHEMBL31527918 0.69 EGFR (0.45) EGFRKDRSLC6A4FFAR4MAP4K4
SCHEMBL19510766 0.68 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL18575400 0.68 KDR (0.44) EGFRKDRHAO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 — — US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 — — US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 — — US disclosed
US-20130150412-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR ADDEX PHARMA, S.A. (CH) 2013-06-13 — — US disclosed
US-20130150412-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR ADDEX PHARMA, S.A. (CH) 2013-06-13 — — US disclosed
US-20130150412-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR ADDEX PHARMA, S.A. (CH) 2013-06-13 — — US disclosed
EP-2134690-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2012-11-28 — — EP disclosed
EP-2134690-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2012-11-28 — — EP disclosed
US-8299101-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive mGluR2-receptor modulators Janssen Pharmaceuticals, Inc. (US) 2012-10-30 — — US disclosed
US-8299101-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive mGluR2-receptor modulators Janssen Pharmaceuticals, Inc. (US) 2012-10-30 — — US disclosed
US-8299101-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive mGluR2-receptor modulators Janssen Pharmaceuticals, Inc. (US) 2012-10-30 — — US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 — — US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 — — US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 — — US disclosed
EP-2134690-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 — — EP disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 — — WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 — — 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-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS GRM2, GRIK2, GRM1 EGFR 1478/4885KDR 1879/4885HAO1 2887/4885
US-20130150412-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR GRM2, GRM1, GRM3 EGFR 1401/4885KDR 1827/4885HAO1 2890/4885

“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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