SCHEMBL12759448

SCHEMBL12759448

Cc1cccc(-c2nccn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.48
TGFBR2 P37173 1/20 0.48
NMT1 P30419 1/20 0.47
RIPK2 O43353 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NISCH Q9Y2I1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LPO P22079 1/20 0.42
PRKDC P78527 1/20 0.42
NTRK1 P04629 1/20 0.42
RAB9A P51151 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL14412223 0.92 NMT1 (0.52) TGFBR1TGFBR2NMT1RIPK2BRD4
SCHEMBL17264894 0.87 NMT1 (0.52) TGFBR1TGFBR2NMT1RIPK2BRD4
SCHEMBL3970148 0.84 MAP4K4 (0.46) NMT1RIPK2POLBMAPTBRD4
SCHEMBL29711750 0.84 HSD17B2 (0.48) NMT1RIPK2NTRK1
SCHEMBL2616608 0.84 HSD17B2 (0.48) NMT1RIPK2NTRK1
SCHEMBL12320076 0.84 KDR (0.47) TGFBR1NMT1RIPK2POLBBRD4
SCHEMBL3489826 0.84 NMT1 (0.47) TGFBR1NMT1RIPK2MAPTBRD4
SCHEMBL28469346 0.84 NMT1 (0.44) TGFBR1TGFBR2NMT1RIPK2BRD4
SCHEMBL3488664 0.84 IDO1 (0.49) NMT1RIPK2POLBMAPTBRD4
SCHEMBL23571873 0.82 F2 (0.49) NMT1RIPK2POLBBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110964062-A Iridium complex and organic electroluminescent device using the same 机光科技股份有限公司 2020-04-07 CN disclosed
US-20200106028-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-04-02 US disclosed
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20160380214-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2016-12-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 US disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 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 (9 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TGFBR1 4432/4885TGFBR2 3991/4885NMT1 1324/4885
US-20160380214-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 TGFBR1 681/4885TGFBR2 1410/4885NMT1 1108/4885
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 TGFBR1 1046/4885TGFBR2 1143/4885NMT1 3661/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 TGFBR1 4322/4885TGFBR2 4244/4885NMT1 1755/4885
US-20200106028-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LAGE3, OXA1L, OPA1 TGFBR1 2647/4885TGFBR2 4202/4885NMT1 2088/4885
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives IFNG, IL15, IL5 TGFBR1 65/4885TGFBR2 84/4885NMT1 1102/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK TGFBR1 1091/4885TGFBR2 696/4885NMT1 4710/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 TGFBR1 1046/4885TGFBR2 1143/4885NMT1 3661/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TGFBR1 4432/4885TGFBR2 3991/4885NMT1 1324/4885

“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.