SCHEMBL19912460

SCHEMBL19912460

Cc1cc(-c2c(-n3c4ccccc4c4ccc(C)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(C)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
TACR1 P25103 2/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.31
AR P10275 2/20 0.31
GRM5 P41594 1/20 0.31
MAT2A P31153 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
SCHEMBL19912473 0.97 KIF11 (0.41) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL22822634 0.96 KIF11 (0.37) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19917800 0.96 KIF11 (0.37) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912468 0.95 RXRA (0.36) KIF11RXRARXRGARGRM5
SCHEMBL19912492 0.94 AR (0.36) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912467 0.94 KIF11 (0.33) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912499 0.93 RXRA (0.36) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912487 0.92 AR (0.40) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912503 0.92 RXRA (0.36) KIF11TACR1PDE9APDE1CRXRA
SCHEMBL19912461 0.92 KIF11 (0.34) KIF11TACR1PDE9APDE1CRXRA

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 3316/4885TACR1 1242/4885PDE9A 4759/4885

“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.