SCHEMBL19912425

SCHEMBL19912425

Cc1cc(-c2cc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(C#N)cc2-n2c3ccc(C)cc3c3cc(C)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
AR P10275 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HTR6 P50406 2/20 0.32
HRH1 P35367 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
HIF1A Q16665 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAT2A P31153 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31

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
SCHEMBL19912387 0.97 AR (0.35) KIF11ARSMN1; SMN2TSHRPIK3CA
SCHEMBL19912422 0.96 KIF11 (0.36) KIF11ARSMN1; SMN2TSHRPIK3CA
SCHEMBL19912413 0.93 AR (0.35) KIF11ARSMN1; SMN2HTR6HRH1
SCHEMBL19917907 0.93 KIF11 (0.38) KIF11ARSMN1; SMN2TSHRHTR6
SCHEMBL22822134 0.93 KIF11 (0.36) KIF11ARSMN1; SMN2TSHRPIK3CA
SCHEMBL19912384 0.93 TSHR (0.32) KIF11ARSMN1; SMN2TSHRXDH
SCHEMBL19903604 0.92 AR (0.36) KIF11ARSMN1; SMN2TSHRPIK3CA
SCHEMBL19912420 0.90 KIF11 (0.36) KIF11ARSMN1; SMN2TSHRMAT2A
SCHEMBL19912430 0.90 AR (0.43) KIF11ARXDH
SCHEMBL22822508 0.89 RXRA (0.36) KIF11ARSMN1; SMN2TSHRPIK3CA

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 3316/4885AR 4212/4885SMN1; SMN2 4419/4885

“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.