SCHEMBL22985642

SCHEMBL22985642

N#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-c2ccc(C#N)cc2C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.33
PDPK1 O15530 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.31
ABCB1 P08183 2/20 0.31
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL22985650 0.97 PDPK1 (0.33) ARPDPK1LMNAMEN1ALDH1A1
SCHEMBL20849228 0.93 PDPK1 (0.32) PDPK1LMNAMEN1ALDH1A1CYP1A2
SCHEMBL22985162 0.92 KIF11 (0.36) ARPDPK1GABRA1GABRG2GABRB3
SCHEMBL20849077 0.91 CYP1A2 (0.33) PDPK1LMNAMEN1ALDH1A1CYP1A2
SCHEMBL20849232 0.91
SCHEMBL22985244 0.90 S1PR1 (0.35) ARLMNAMEN1ALDH1A1CYP1A2
SCHEMBL22985705 0.90 S1PR1 (0.36) ARLMNAMEN1ALDH1A1CYP1A2
SCHEMBL22985429 0.90 AR (0.36) ARPDPK1LMNAALDH1A1S1PR1
SCHEMBL22985408 0.89 CRHR1 (0.33) AR
SCHEMBL22985160 0.89 KIF11 (0.34) ARPDPK1

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 AR 3541/4885PDPK1 2545/4885LMNA 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.