SCHEMBL20849261

SCHEMBL20849261

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
PDK2 Q15119 2/20 0.35
PTGER4 P35408 1/20 0.35
AR P10275 3/20 0.34
ACP1 P24666 1/20 0.34
PTPN5 P54829 1/20 0.34
RORC P51449 3/20 0.33
PDPK1 O15530 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
SYK P43405 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
SCHEMBL20849639 0.97 KIF11 (0.38) KIF11PDK2PTGER4ARACP1
SCHEMBL20849172 0.95 KIF11 (0.39) KIF11PDK2PTGER4ARACP1
SCHEMBL20848469 0.95 KIF11 (0.39) KIF11PDK2PTGER4ARACP1
SCHEMBL20848601 0.95 PDK2 (0.38) KIF11PDK2PTGER4ARACP1
SCHEMBL20848561 0.95 AR (0.36) KIF11PDK2PTGER4ARACP1
SCHEMBL20849466 0.94 AR (0.40) KIF11PDK2PTGER4ARACP1
SCHEMBL21399654 0.94 KIF11 (0.39) KIF11PDK2PTGER4ARACP1
SCHEMBL20849446 0.94 KIF11 (0.34) KIF11PDK2PTGER4ARACP1
SCHEMBL20849638 0.94 KIF11 (0.40) KIF11PDK2ARACP1PTPN5
SCHEMBL20848546 0.92 KIF11 (0.36) KIF11PDK2PTGER4ARACP1

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 1574/4885PTGER4 3716/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885PTGER4 3716/4885

“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.