SCHEMBL1013412

SCHEMBL1013412

O=C(Nc1cc(-c2ccccc2)no1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
TP53 P04637 3/20 0.55
RORC P51449 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL11966199 0.91 MAPT (0.52) MAPTSMN1; SMN2TP53RORCMEN1
SCHEMBL3772532 0.82 RORC (0.66) MAPTSMN1; SMN2TP53RORCMEN1
SCHEMBL1895964 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1011745 0.80 MAPK14 (0.46) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL10802219 0.79 RORC (0.63) MAPTSMN1; SMN2TP53RORCMEN1
SCHEMBL1011915 0.79 ALDH1A1 (0.52) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1012016 0.78 EPHX2 (0.48) MAPTTP53MEN1KMT2ANPC1
SCHEMBL5224012 0.78 RAB9A (0.48) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1013171 0.78 ALDH1A1 (0.56) MAPTTP53MEN1KMT2AGAA
SCHEMBL13901729 0.78 MEN1 (0.82) MAPTSMN1; SMN2TP53RORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
EP-1129089-B1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-12-28 EP disclosed
US-20040063942-A1 Spiro-indolines as Y5 receptor antagonists MERCK & CO., INC. 2004-04-01 US disclosed
US-6638942-B1 Useful in the treatment of obesity and the complications associated therewith. MERCK & CO., INC. 2003-10-28 US disclosed
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 EP disclosed
US-6495559-B2 FOR THERAPY OF OBESITY MERCK & CO., INC. 2002-12-17 US disclosed
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists MSD K.K. (JP) 2002-05-16 US disclosed
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 US disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 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 (5 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF MAPT 3020/4885SMN1; SMN2 3316/4885TP53 284/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 3020/4885SMN1; SMN2 3316/4885TP53 284/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 3020/4885SMN1; SMN2 3316/4885TP53 284/4885
US-20040063942-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R MAPT 3223/4885SMN1; SMN2 4281/4885TP53 4701/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R MAPT 3297/4885SMN1; SMN2 4270/4885TP53 4703/4885

“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.