SCHEMBL4030548

SCHEMBL4030548

COc1ccc([Mg]Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
TTR P02766 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
SCHEMBL1021627 0.88 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1021384 0.81 CA2 (0.48) ALDH1A1POLBCYP2C9MAPK1CYP2C19
SCHEMBL1021779 0.78 ALOX15 (0.42) ALDH1A1MAPTHPGDPOLBMAPK1
SCHEMBL929959 0.76 RAB9A (0.46) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL30883901 0.76 RAB9A (0.46) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL2424549 0.75 MAPK1 (0.33) MAPK1
SCHEMBL155088 0.75 AHR (0.46) ALDH1A1HSD17B10TP53
SCHEMBL28996996 0.73 ACHE (0.35) ALDH1A1MAPTACHE
SCHEMBL858370 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL30424732 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187462-B2 Substituted quinazolines as serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-11-17 US disclosed
EP-2739618-B1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-09-16 EP disclosed
US-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-03-26 US disclosed
EP-2739618-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-06-11 EP disclosed
WO-2013020062-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-02-07 WO disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
EP-1493741-A2 Benzo[b]thiophene compounds, intermediates, processes, compositions and methods Eli Lilly & Company (US) 2005-01-05 EP disclosed
EP-0826683-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2004-10-06 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO disclosed
US-5998442-A ANTICHOLESTEROL AGENTS ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0826683-A1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ALDH1A1 2279/4885MEN1 1719/4885KMT2A 2656/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ALDH1A1 1965/4885MEN1 2749/4885KMT2A 2418/4885
US-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K3, MAP3K2 ALDH1A1 2948/4885MEN1 1450/4885KMT2A 1950/4885

“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.