SCHEMBL2829829

SCHEMBL2829829

Cc1cc(Oc2ccc(Br)c(F)c2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ SLC6A4 P31645 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36
▸ CYP1A2 P05177 6/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ LGALS8 O00214 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ NSD3 Q9BZ95 1/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL3654965 0.83 EGFR (0.45) EGFRKDRSLC6A4SOS1HAO1
SCHEMBL2835404 0.81 EGFR (0.40) EGFRKDRSLC6A4HAO1CYP1A2
SCHEMBL2185810 0.78 EGFR (0.43) EGFRKDRSLC6A4HAO1PPARG
SCHEMBL7420394 0.74 LTA4H (0.48) EGFRKDRSLC6A4SOS1ALDH1A1
Fluoride SCHEMBL28103700 0.73 LTA4H (0.46) EGFRKDRSLC6A4SOS1ALDH1A1
SCHEMBL31287823 0.73 MAPT (0.55) EGFRKDRSOS1CYP3A4ALDH1A1
SCHEMBL18796308 0.72 EGFR (0.47) EGFRKDRSLC6A4CYP1A2CYP2C19
SCHEMBL24364239 0.71 MAOB (0.44) EGFRKDRCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL17235692 0.71 MMP2 (0.40) EGFRKDRSLC6A4SOS1ALDH1A1
SCHEMBL29799834 0.71 MMP2 (0.40) EGFRKDRSLC6A4SOS1ALDH1A1

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 1879/4885SLC6A4 306/4885
US-20130150412-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR GRM2, GRM1, GRM3 EGFR 1401/4885KDR 1827/4885SLC6A4 301/4885

“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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