SCHEMBL17570530

SCHEMBL17570530

Cc1c(C#N)ccnc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
CDC42BPA Q5VT25 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
LRRK2 Q5S007 6/20 0.35
AR P10275 2/20 0.33
PLCG1 P19174 1/20 0.33
TGFBR1 P36897 1/20 0.32
ERBB2 P04626 1/20 0.32
MAPT P10636 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CHEK1 O14757 2/20 0.31
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
LIMK1 P53667 2/20 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
SCHEMBL3671909 0.80 TSHR (0.38) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL6170131 0.80 NOS3 (0.46) TSHRLRRK2PLCG1ERBB2MAPT
SCHEMBL4385912 0.77 PLCG1 (0.35) LRRK2ARPLCG1ERBB2MAPT
SCHEMBL22647247 0.77 NOS2 (0.54) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL1119092 0.77 FFAR1 (0.42) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL25299754 0.77 NTRK1 (0.33) LRRK2PLCG1ERBB2MAPTNOS3
SCHEMBL15758260 0.77 FFAR1 (0.42) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL11285134 0.77 AR (0.36) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL2136972 0.77 NISCH (0.36) TSHRNISCHROCK2ROCK1CDC42BPA
SCHEMBL2671146 0.77 ALDH1A1 (0.40) LRRK2PLCG1ERBB2MAPTPIM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 US disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 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 (3 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 TSHR 3000/4885NISCH 11/4885ROCK2 4375/4885
US-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 TSHR 3582/4885NISCH 2703/4885ROCK2 3111/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 TSHR 3000/4885NISCH 11/4885ROCK2 4375/4885

“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.