SCHEMBL17589587

SCHEMBL17589587

Cc1cc2c(-c3cccnc3)nc3ccccc3c2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY5R Q15761 2/20 0.45
CYP2A6 P11509 1/20 0.44
MAPT P10636 2/20 0.44
GBA1 P04062 3/20 0.43
RAD51 Q06609 1/20 0.43
F2 P00734 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL17589589 0.87 PDE10A (0.53) CYP1A2MEN1ALDH1A1TSHRKMT2A
SCHEMBL17035148 0.84 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17034962 0.83 DHODH (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17034960 0.80 CYP11B1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17035023 0.80 CYP11B1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17034961 0.80 DHODH (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17034965 0.79 CYP11B1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17034888 0.78 CYP11B1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL17589586 0.78 DHODH (0.43) CYP1A2CYP3A4CYP2C9HSD17B10MEN1
SCHEMBL17034967 0.78 HPGD (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9899611-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-20160079546-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-17 US 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-20160079546-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP1A2 907/4885CYP3A4 1007/4885CYP2D6 2102/4885

“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.