SCHEMBL2913747

SCHEMBL2913747

Cc1c(F)ccc2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.44
KDM4E B2RXH2 5/20 0.37
PARP1 P09874 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
TYMP P19971 3/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
GDA Q9Y2T3 1/20 0.34

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
SCHEMBL7023394 0.81 CA12 (0.39) DAOKDM4EPARP1CA12CA9
SCHEMBL7031010 0.81 STING1 (0.43) DAOKDM4EPARP1CA12CA9
SCHEMBL14892531 0.78 KDM4E (0.57) KDM4EPARP1CA12CA9TYMP
SCHEMBL27295494 0.77 ALDH1A1 (0.40) KDM4EPARP1CA12CA9TYMP
SCHEMBL18358661 0.77 DAO (0.46) DAOPARP1MAPTGAAKMT2A
SCHEMBL6668067 0.76 CA1 (0.35) DAOKDM4EPARP1CA12CA9
SCHEMBL2919027 0.75 ALDH1A1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL527840 0.73 FEN1 (0.50) DAOKDM4EPARP1CA12CA9
SCHEMBL6387041 0.73 KMT2A (0.35) KDM4EPARP1CA12CA9TYMP
SCHEMBL29874990 0.71 DAO (0.41) DAOKDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K DAO 323/4885KDM4E 431/4885PARP1 1719/4885

“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.