SCHEMBL19912529

SCHEMBL19912529

Cc1cc(-c2cc(-n3c4ccccc4c4cc(C)ccc43)c(C#N)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
AR P10275 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAT2A P31153 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL19912342 0.97 KIF11 (0.34) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912537 0.95 KIF11 (0.39) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912393 0.93 KIF11 (0.36) KIF11POLBPDE9APDE1CAR
SCHEMBL19903464 0.93 KIF11 (0.36) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912530 0.92 KIF11 (0.43) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912373 0.92 KIF11 (0.38) KIF11POLBLMNASMN1; SMN2HIF1A
SCHEMBL19912341 0.92 HTT (0.38) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912335 0.91 KIF11 (0.37) KIF11POLBLMNAHTTNCOA1
SCHEMBL19912555 0.91 AR (0.34) KIF11POLBSMN1; SMN2PDE9APDE1C
SCHEMBL19912532 0.90 AR (0.37) KIF11POLBLMNAHTTSMN1; SMN2

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 3316/4885POLB 2101/4885LMNA 4042/4885

“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.