SCHEMBL774587

SCHEMBL774587

Cc1cccc(CN)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
TAAR1 Q96RJ0 1/20 0.46
PNMT P11086 2/20 0.43
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DPP4 P27487 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.36
HTR2A P28223 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL2247538 0.83 CD44 (0.54) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL755515 0.81 CD44 (0.52) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL29351040 0.81 CD44 (0.52) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL751788 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL13783636 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL30961936 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL10423684 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
Hydrochloric Acid SCHEMBL7642490 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL774586 0.79 CD44 (0.50) CD44TAAR1ATP4AATP4BCYP3A4
SCHEMBL15997 0.78 TAAR1 (0.48) CD44TAAR1PNMTDPP4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 CN claimed
EP-3875462-A1 NUCLEOTIDE ANALOGS The Regents of The University of California (US) 2021-09-08 EP disclosed
CN-106902123-B Application of 5-hydro-1, 4-benzodiazepine compound in treating liver cancer 上海交通大学 2020-08-25 CN disclosed
CN-106883188-B 5-hydrogen-1, 4-benzodiazepine compound and synthesis method thereof 上海交通大学 2020-06-30 CN disclosed
EP-3466959-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen BioPharma, Inc. (US) 2019-04-10 EP disclosed
EP-3013843-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA INC (US) 2018-05-30 EP disclosed
CN-106902123-A Application of the benzodiazepine compounds of 5 hydrogen 1,4 in liver cancer is treated 上海交通大学 2017-06-30 CN disclosed
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 CN disclosed
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 US disclosed
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 EP disclosed
CN-101155787-B (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN LA ROCHE 2010-11-24 CN disclosed
CN-101155787-A (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
EP-1871748-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. Hoffmann-Roche AG (CH) 2008-01-02 EP disclosed
CN-1286815-C 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-11-29 CN disclosed
WO-2006108773-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US disclosed
CN-1507434-A Novel 4-anilinoquinoline-3-carboxamides 2004-06-23 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 (1 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-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines HTR5A, HTR1A, HTR1E CD44 3150/4885TAAR1 71/4885PNMT 454/4885

“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.