SCHEMBL1772509

SCHEMBL1772509

N#Cc1c(N)cccc1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAP2K1 Q02750 4/20 0.47
▸ MAP2K2 P36507 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PLA2G1B P04054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ DHFR P00374 2/20 0.41
▸ SIRT1 Q96EB6 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ NSD2 O96028 1/20 0.39

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
SCHEMBL8645461 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL2638192 0.82 MAP2K2 (0.39) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL2637932 0.82 KDM4E (0.49) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL31060671 0.82 MAP2K2 (0.39) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL8641894 0.82 KDM4E (0.44) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL2639266 0.82 ADORA1 (0.40) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL5074837 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL30071586 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL8644586 0.80 KDM4E (0.45) ALDH1A1MAPTKDM4EHPGDMAP2K1
SCHEMBL2638690 0.80 ADORA2A (0.40) ALDH1A1MAPTKDM4EHPGDMAP2K1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 — — US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 — — US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 — — US disclosed
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 — — US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 — — EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 — — EP disclosed
EP-2245021-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2012-09-12 — — EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 — — CN disclosed
WO-2009095529-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2009-08-06 — — WO disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 — — WO disclosed
EP-0748311-B1 THERAPEUTIC BENZONITRILES WELLCOME FOUND (GB) 1999-08-04 — — EP disclosed
US-5723452-A Therapeutic benzonitriles GLAXO WELLCOME INC. (US) 1998-03-03 — — US disclosed
EP-0748311-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1996-12-18 — — EP disclosed
EP-0746542-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1996-12-11 — — EP disclosed
WO-1995023133-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-31 — — WO disclosed
WO-1995023134-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-31 — — 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885MAPT 3087/4885KDM4E 4555/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885MAPT 3087/4885KDM4E 4555/4885

“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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