SCHEMBL2914712

SCHEMBL2914712

CCc1cccc2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
DAO P14920 3/20 0.46
PARP1 P09874 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
DDO Q99489 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
HTT P42858 1/20 0.41
PGR P06401 1/20 0.40

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
SCHEMBL7030918 0.88 DAO (0.48) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL7029520 0.84 PARP1 (0.44) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL7032649 0.84 PARP1 (0.44) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL7027616 0.81 PARP1 (0.42) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL24262307 0.80 FEN1 (0.57) ALDH1A1DAOPARP1KDM4ECA12
SCHEMBL7033769 0.80 GAA (0.42) ALDH1A1LMNAPARP1KDM4ECA12
SCHEMBL7030625 0.80 PARP1 (0.41) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL2919116 0.77 CHEK1 (0.53) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL5379137 0.77 DAO (0.46) ALDH1A1LMNADAOPARP1KDM4E
SCHEMBL7032323 0.76 PARP1 (0.36) ALDH1A1DAOPARP1KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 WO disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-0878468-B1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
EP-0775697-B1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL CO (JP) 2003-02-12 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 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 (2 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885LMNA 3197/4885DAO 2146/4885
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K ALDH1A1 4359/4885LMNA 1765/4885DAO 323/4885

“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.