SCHEMBL19918016

SCHEMBL19918016

Cc1cc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
ABCG2 Q9UNQ0 4/20 0.36
AR P10275 2/20 0.35
SYK P43405 1/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL19912459 0.92 ABCG2 (0.35) XDHABCG2ARSYKCTSS
SCHEMBL19903641 0.90 XDH (0.34) XDHABCG2CTSSCTSKCYP1A2
SCHEMBL22822535 0.90 RXRA (0.38) XDHABCG2CTSSCTSKCYP1A2
SCHEMBL19903494 0.89 CTSS (0.34) XDHABCG2CTSSCTSKCYP1A2
SCHEMBL19912576 0.88 AR (0.47) XDHARCTSSKDM4EALDH1A1
SCHEMBL22822534 0.88 RXRA (0.36) XDHABCG2CTSSCTSKCYP1A2
SCHEMBL19918023 0.87 AR (0.36) XDHAR
SCHEMBL19912566 0.87 ADORA1 (0.35) ABCG2ARCTSSCTSKCYP1A2
SCHEMBL19903535 0.86 ABCG2 (0.34) XDHABCG2ARCTSSCTSK
SCHEMBL19912456 0.86 ABCG2 (0.35) XDHABCG2ARSYKCTSS

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 XDH 91/4885ABCG2 3177/4885AR 4190/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885ABCG2 3166/4885AR 4212/4885

“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.