SCHEMBL19912564

SCHEMBL19912564

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.30
PDE9A O76083 1/20 0.30
PDE1C Q14123 1/20 0.30
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
SCHEMBL19903489 0.95 KIF11 (0.34) KIF11CTSSCTSKALDH1A1GAA
SCHEMBL19912562 0.94 PTGER4 (0.33) KIF11CTSSCTSKPOLBPDE9A
SCHEMBL19912563 0.93 ALDH1A1 (0.34) KIF11CTSSCTSKPOLBPDE9A
SCHEMBL20617043 0.93 RXRA (0.36) KIF11CTSSCTSKALDH1A1
SCHEMBL19942590 0.93 KIF11 (0.33) KIF11CTSSCTSKPOLBHPGD
SCHEMBL20150316 0.91 AR (0.35) KIF11
SCHEMBL19912556 0.90 KIF11 (0.37) KIF11POLBPDE9APDE1CALDH1A1
SCHEMBL19903488 0.90 PTGER4 (0.34) KIF11CTSSCTSKALDH1A1GAA
SCHEMBL19912565 0.90 ADORA1 (0.35) CTSSCTSKPOLBKDM4EALDH1A1
SCHEMBL19912567 0.89 CTSS (0.32) CTSSCTSKPOLBALDH1A1GAA

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-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 (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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885CTSS 4073/4885CTSK 3483/4885

“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.