SCHEMBL20849656

SCHEMBL20849656

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
PDK2 Q15119 2/20 0.34
PDPK1 O15530 1/20 0.33
AR P10275 4/20 0.32
PTGER4 P35408 1/20 0.32
ACP1 P24666 1/20 0.31
PGR P06401 1/20 0.31
PTPN5 P54829 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
SCHEMBL20849425 0.97 KIF11 (0.33) KIF11PDK2PDPK1ARPTGER4
SCHEMBL20849658 0.96 KIF11 (0.39) KIF11PDK2PDPK1ARPGR
SCHEMBL20849348 0.95 PDK2 (0.36) KIF11PDK2PDPK1ARPTGER4
SCHEMBL20849061 0.95 AR (0.35) KIF11PDK2PDPK1ARPTGER4
SCHEMBL20849442 0.95 PDK2 (0.32) KIF11PDK2PDPK1ACP1PGR
SCHEMBL20849492 0.94 KIF11 (0.35) KIF11PDK2PDPK1ARACP1
SCHEMBL20848592 0.93 ACP1 (0.33) PDK2PDPK1ARACP1
SCHEMBL20849489 0.93 ACP1 (0.33) PDK2PDPK1ARACP1
SCHEMBL20849494 0.93 ACP1 (0.33) PDK2PDPK1ARACP1
SCHEMBL20848549 0.93 PDPK1 (0.30) PDPK1

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885PDPK1 3432/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885PDPK1 3432/4885

“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.