SCHEMBL14725656

SCHEMBL14725656

Cn1cc2ccc3c(-c4csc5ccccc45)cc4cc5c(cc(-c6csc7ccccc67)c6ccc7cn(C)nc7c65)cc4c3c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TGFBR1 P36897 1/20 0.33
C1S P09871 1/20 0.32
APP P05067 1/20 0.32
CAMK2D Q13557 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
IMPDH2 P12268 1/20 0.31
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30

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
SCHEMBL14725679 0.82 HTT (0.38) ALDH1A1HPGD
SCHEMBL14725675 0.80 GPR3 (0.31) ALDH1A1HPGD
SCHEMBL14725633 0.79 ADORA3 (0.36) ALDH1A1HPGD
SCHEMBL14725649 0.78 CYP11B2 (0.41) CYP1A2CYP3A4
SCHEMBL14725643 0.73 ADORA3 (0.37)
SCHEMBL14725654 0.72 ALOX5 (0.37) ALDH1A1HPGDC1SAPPCHRM2
SCHEMBL14725669 0.72 SIRT2 (0.33) ALDH1A1HPGD
SCHEMBL14725653 0.71 CYP11B1 (0.45) ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL21180639 0.71 ALDH1A1 (0.38) ALDH1A1HPGDC1SAPPCHRM2
SCHEMBL14725659 0.70 KDM4E (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 ACVRL1 1578/4885ACVR1 2545/4885ALDH1A1 813/4885

“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.