SCHEMBL2919936

SCHEMBL2919936

CCOC(=O)Nc1cc(N)cc2c1ncn2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.41
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL13057482 0.83 CYP1A2 (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2916257 0.81 AKR1B1 (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2912564 0.73 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2912617 0.73 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21218331 0.72 CTSS (0.41) ALDH1A1HPGDDPP4MEN1KMT2A
SCHEMBL2920899 0.72 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2HSD17B10MAPK1
SCHEMBL8695229 0.69 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10876647 0.68 NLRP3 (0.60) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL14637560 0.68 HDAC1 (0.60) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8700361 0.66 CYP1A2 (0.54) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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
WO-2009084695-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2009-07-09 WO 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 ALDH1A1 4359/4885HPGD 3655/4885CYP1A2 2726/4885

“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.