SCHEMBL22985238

SCHEMBL22985238

N#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 4/20 0.34
LMNA P02545 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
PTGER4 P35408 1/20 0.33
ACP1 P24666 1/20 0.33
MAPK1 P28482 1/20 0.32
AR P10275 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32

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
SCHEMBL22985244 0.97 S1PR1 (0.35) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985579 0.96 CYP1A2 (0.34) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985346 0.96 CYP1A2 (0.35) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985706 0.96 CYP1A2 (0.35) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22242947 0.95 CYP1A2 (0.32) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL20848732 0.95 CYP1A2 (0.32) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL24369954 0.94 CYP1A2 (0.35) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985577 0.94 S1PR1 (0.35) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985684 0.94 S1PR1 (0.36) CYP1A2CYP3A4LMNAMEN1ALDH1A1
SCHEMBL22985705 0.94 S1PR1 (0.36) CYP1A2CYP3A4LMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 CYP1A2 1014/4885CYP3A4 388/4885LMNA 3439/4885

“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.