SCHEMBL22985678

SCHEMBL22985678

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
PTGER4 P35408 1/20 0.35
ENPP1 P22413 1/20 0.33
PDK2 Q15119 2/20 0.32
RORC P51449 3/20 0.32
KIF11 P52732 1/20 0.31
ELANE P08246 3/20 0.31
CYP2C9 P11712 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
NSD2 O96028 1/20 0.30
PTPN5 P54829 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL22985372 0.96 AR (0.42) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985413 0.96 AR (0.43) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985568 0.96 AR (0.43) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985681 0.96 AR (0.45) ARENPP1PDK2RORCKIF11
SCHEMBL20848481 0.95 AR (0.39) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985098 0.94 AR (0.34) ARPTGER4PDK2RORCKIF11
SCHEMBL20849235 0.93 AR (0.42) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985676 0.93 AR (0.38) ARPTGER4PDK2RORCKIF11
SCHEMBL22985701 0.93 PDK2 (0.39) ARPTGER4ENPP1PDK2RORC
SCHEMBL22985334 0.93 AR (0.45) ARENPP1PDK2RORCKIF11

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 3541/4885PTGER4 3301/4885ENPP1 4339/4885

“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.