SCHEMBL20910690

SCHEMBL20910690

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 6/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
CYP2D6 P10635 4/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
PTPN5 P54829 1/20 0.39
MAT2A P31153 1/20 0.39
MAPK1 P28482 2/20 0.37
PDK2 Q15119 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL20910529 0.97 CYP1A2 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20910536 0.96 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20911020 0.95 RXRA (0.34) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27022426 0.95 PTPN5 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20910538 0.94 CYP1A2 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL21364483 0.94 CYP1A2 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20910526 0.94 KIF11 (0.39) LMNAPTPN5PDK2PTGDR2ABCG2
SCHEMBL21399443 0.93 KIF11 (0.35) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20910445 0.93 KIF11 (0.35) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20911022 0.93 CYP1A2 (0.34) CYP1A2CYP3A4MEN1ALDH1A1KMT2A

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-10998504-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-04 US disclosed
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-18 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-10998504-B2 Organic molecules for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 CYP1A2 1714/4885CYP3A4 736/4885MEN1 4642/4885
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD1, OCIAD2, POU2F1 CYP1A2 1714/4885CYP3A4 736/4885MEN1 4642/4885

“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.