SCHEMBL20848958

SCHEMBL20848958

N#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 7/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 5/20 0.37
CYP2D6 P10635 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C19 P33261 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2C9 P11712 2/20 0.37
ACP1 P24666 1/20 0.37
MAPK1 P28482 3/20 0.35
ABCG2 Q9UNQ0 4/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35

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
SCHEMBL20849130 0.95 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20849127 0.95 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL21399755 0.95 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20849133 0.93 CYP1A2 (0.35) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20849129 0.93 CYP1A2 (0.35) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20849437 0.92 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL21399796 0.92 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20849639 0.91 KIF11 (0.38) ACP1USP1WDR48PTGER4
SCHEMBL20910674 0.91 USP1 (0.35) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20910567 0.91 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1LMNACYP2D6

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 CYP1A2 1909/4885CYP3A4 781/4885ALDH1A1 865/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 CYP1A2 1909/4885CYP3A4 781/4885ALDH1A1 865/4885

“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.