SCHEMBL20156181

SCHEMBL20156181

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.42
CYP3A4 P08684 7/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
CYP2D6 P10635 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2C19 P33261 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C9 P11712 2/20 0.42
MAPK1 P28482 4/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A3 P47895 1/20 0.38
USP2 O75604 3/20 0.37
HPGD P15428 2/20 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
SCHEMBL20156268 0.97 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL27016150 0.95 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20156195 0.95 ALDH1A1 (0.38) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL27021374 0.94 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20155978 0.93 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1ABCG2ALDH1A3
SCHEMBL20156161 0.93 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1KDM4EHPGD
SCHEMBL27016152 0.92 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL17897509 0.92 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1ABCG2KDM4E
SCHEMBL20156182 0.92 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1LMNACYP2D6
SCHEMBL20115023 0.92 ALDH1A1 (0.37) 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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885ALDH1A1 387/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885ALDH1A1 387/4885

“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.