SCHEMBL22985244

SCHEMBL22985244

N#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.35
AR P10275 5/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
ABCB1 P08183 2/20 0.33
TRPA1 O75762 1/20 0.33
POLB P06746 1/20 0.33
GABRA1 P14867 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
SCHEMBL22985238 0.97 CYP1A2 (0.34) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985577 0.96 S1PR1 (0.35) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985705 0.96 S1PR1 (0.36) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985684 0.96 S1PR1 (0.36) S1PR1S1PR3ARLMNAMEN1
SCHEMBL20848730 0.95 S1PR1 (0.33) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985579 0.94 CYP1A2 (0.34) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985346 0.94 CYP1A2 (0.35) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22985706 0.94 CYP1A2 (0.35) S1PR1S1PR3ARLMNAMEN1
SCHEMBL22242947 0.92 CYP1A2 (0.32) S1PR1S1PR3ARLMNAMEN1
SCHEMBL20848732 0.92 CYP1A2 (0.32) S1PR1S1PR3ARLMNAMEN1

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 S1PR1 4392/4885S1PR3 4516/4885AR 3541/4885

“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.