SCHEMBL7399072

SCHEMBL7399072

CCOC(=O)CN1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD2 P14416 1/20 0.53
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
NOTUM Q6P988 1/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TNF P01375 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51

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
Hydrochloric Acid SCHEMBL8824760 0.99 MAPT (0.60) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL4210440 0.89 GAA (0.53) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL7276869 0.86 HDAC3 (0.60) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL5862011 0.85 KMT2A (0.61) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL27492242 0.83 CA9 (0.50) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL24109370 0.82 CARM1 (0.50) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL3910177 0.82 NR1H2 (0.49) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL7128888 0.81 ESR1 (0.51) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL27490478 0.81 ALDH1A1 (0.49) MAPTALDH1A1KDM4ETSHRMAPK1
SCHEMBL2014179 0.81 DRD2 (0.56) MAPTALDH1A1KMT2AMEN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists SMITHKLINE BEECHAM S.P.A. 2002-06-06 US disclosed
EP-1019377-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. Smithkline Beecham S.p.A. (IT) 2000-07-19 EP disclosed
US-5977118-A 6-substituted pyrazolo[3,4-d]pyrimidin-4-ones and compositions and methods of use thereof SANOFI (FR) 1999-11-02 US disclosed
EP-0813527-A4 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-09-09 EP disclosed
EP-0813527-A1 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
US-5656629-A CYCLIC GUANOSINE MONOPHSPHATE-PHOSPHODIESTERASE INHIBITOR; USEFUL FOR TREATING HEART FAILURE AND/OR HYPERTENSION SANOFI WINTHROP, INC. (US) 1997-08-12 US disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
WO-1996028429-A1 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-4634716-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1987-01-06 US 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 (3 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-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA MAPT 3427/4885ALDH1A1 4198/4885KDM4E 1409/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MAPT 3170/4885ALDH1A1 3771/4885KDM4E 4818/4885
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists TAC3, TACR2, TACR1 MAPT 4548/4885ALDH1A1 2059/4885KDM4E 2406/4885

“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.