SCHEMBL20849591

SCHEMBL20849591

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
PDK2 Q15119 2/20 0.38
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
TACR1 P25103 2/20 0.35
PTGER4 P35408 1/20 0.35
PTPN5 P54829 2/20 0.34
ICMT O60725 2/20 0.33
RORC P51449 1/20 0.33
PDPK1 O15530 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 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
SCHEMBL20849008 0.98 RXRA (0.36) KIF11PDK2RXRARXRGTACR1
SCHEMBL20849566 0.97 RXRA (0.39) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848947 0.96 KIF11 (0.39) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848855 0.96 KIF11 (0.39) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848924 0.96 RXRA (0.36) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848919 0.95 RXRA (0.39) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848911 0.95 KIF11 (0.44) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848521 0.94 PTGER4 (0.35) KIF11PDK2RXRARXRGTACR1
SCHEMBL20848929 0.94 KIF11 (0.37) KIF11PDK2RXRARXRGTACR1
SCHEMBL20849572 0.94 RXRA (0.35) KIF11PDK2RXRARXRGTACR1

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 1574/4885RXRA 1822/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885PDK2 1574/4885RXRA 1822/4885

“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.