SCHEMBL725815

SCHEMBL725815

c1ccc(Nc2nc[nH]c3ccnc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
GRM4 Q14833 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK2 P24941 2/20 0.39
DHODH Q02127 1/20 0.38
EGFR P00533 3/20 0.38
ABL1 P00519 2/20 0.38
SRC P12931 1/20 0.38
PRKCA P17252 1/20 0.38
PIM1 P11309 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAPK1 P28482 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL15264642 0.78 POLB (0.45) POLBTTBK1TTBK2MAPTLMNA
SCHEMBL27522307 0.75 GRM4 (0.42) POLBTTBK1TTBK2MAPTLMNA
SCHEMBL15224220 0.74 KDM4A (0.41) POLBMAPK1AURKAPDPK1AURKB
SCHEMBL2231249 0.74 POLB (0.44) POLBMAPTLMNAGAAHPGD
SCHEMBL7215765 0.70 NPY5R (0.47) POLBTTBK1TTBK2LMNAHPGD
Hydrochloric Acid SCHEMBL7215863 0.69 PDE5A (0.47) POLBTTBK1TTBK2LMNAHPGD
SCHEMBL31338520 0.68 CDK2 (0.42) POLBTTBK1TTBK2MAPTGAA
SCHEMBL31338519 0.68 CDK2 (0.42) POLBTTBK1TTBK2MAPTGAA
SCHEMBL2037022 0.67 DHODH (0.57) TTBK1TTBK2MAPTGAAGRM4
SCHEMBL3915231 0.67 BCAT2 (0.45) POLBTTBK1TTBK2MAPTLMNA

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
EP-2608792-B1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-20160287591-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-06 US disclosed
US-20130289056-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
EP-2608792-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR Boehringer Ingelheim International GmbH (DE) 2013-07-03 EP disclosed
CN-102936251-A Preparation method of pyrrolo[2,3-d]pyrimidine derivative BEPHARM LTD 2013-02-20 CN disclosed
CN-101827848-B 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC 2012-11-07 CN disclosed
US-8198266-B2 Use of an EGFR antagonist for the treatment of glomerolonephritis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-06-12 US disclosed
WO-2012027445-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed
CN-1830964-B 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHINESE ACADEMY OF SCIENCES 2011-06-15 CN disclosed
CN-101827848-A 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer SMITHKLINE BEECHAM CORP 2010-09-08 CN disclosed
US-20100104558-A1 Use of an EGFR Antagonist for the Treatment of Glomerolonephritis INSERM (INETITUT NATIONAL DE LA SANTE ET LA RECHERCHE MEDICALE ) (FR) 2010-04-29 US disclosed
WO-2009104027-A1 THERAPEUTIC APPLICATION OF TRICICLIC AROMATIC AND SATURATED BENZO(4,5)THIENO-(2,3-D)PYRIMIDINE DERIVATES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS VICHEM CHEMIE KUTATÓ KFT (HU) 2009-08-27 WO disclosed
EP-2077842-A2 USE OF AN EGFR ANTAGONIST FOR THE TREATMENT OF GLOMEROLONEPHRITIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-07-15 EP disclosed
CN-100432071-C Substituted 1H-indole-2-ketone compound and its preparation method and uses SHANGHAI INST MATERIA MEDICA (CN) 2008-11-12 CN disclosed
WO-2008063773-A9 COMBINATORIAL TREATMENT WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR MOLECULES AND MELANOMA DIFFERENTIATION ASSOCIATED GENE-7 UNIV COLUMBIA (US) 2008-08-14 WO disclosed
WO-2008063773-A2 COMBINATORIAL TREATMENT WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR MOLECULES AND MELANOMA DIFFERENTIATION ASSOCIATED GENE-7 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-29 WO disclosed
WO-2008053270-A2 USE OF AN EGFR ANTAGONIST FOR THE TREATMENT OF GLOMEROLONEPHRITIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2008-05-08 WO disclosed
CN-1958572-A Compound in category of dihydro quinolines, preparation method, and composition of medication SHANGHAI INST OF MEDICINE C A (CN) 2007-05-09 CN disclosed
CN-1830964-A 4-Substituting anilino-3-nitroquinoline compounds, prepn. method and use thereof SHANGHAI INST OF MEDICINES CHI (CN) 2006-09-13 CN disclosed
CN-1769284-A Substituted 1H-indole-2-ketone compound and its preparation method and uses SHANGHAI INST MATERIA MEDICA (CN) 2006-05-10 CN 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-20100104558-A1 Use of an EGFR Antagonist for the Treatment of Glomerolonephritis EGFR, GCGR, PTPRJ POLB 4754/4885TTBK1 3560/4885TTBK2 2753/4885
US-20130289056-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR EGFR, ERBB2, ERBB3 POLB 3762/4885TTBK1 2061/4885TTBK2 1851/4885
US-20160287591-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR EGFR, ERBB2, ERBB3 POLB 3762/4885TTBK1 2061/4885TTBK2 1851/4885

“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.