SCHEMBL20156271

SCHEMBL20156271

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
PDE10A Q9Y233 1/20 0.36
KIF11 P52732 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAT2A P31153 5/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
S1PR1 P21453 2/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 2/20 0.34
IDH1 O75874 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL20150341 0.96 HCRTR1 (0.35) GRM5PDE10AKIF11PSEN1PSEN2
SCHEMBL20114533 0.95 KIF11 (0.42) GRM5PDE10AKIF11PSEN1PSEN2
SCHEMBL22268416 0.91 GRM5 (0.39) GRM5PDE10AKIF11PSEN1PSEN2
SCHEMBL20150383 0.91 GRM5 (0.37) GRM5PDE10AKIF11MAT2APTGDR2
SCHEMBL20114529 0.90 CSNK1D (0.36) KIF11
SCHEMBL20156274 0.89 RXRA (0.34) GRM5KIF11PSEN1PSEN2APH1B
SCHEMBL20114538 0.88 TDP2 (0.34) MAT2A
SCHEMBL22268415 0.86 KIF11 (0.42) GRM5KIF11PSEN1PSEN2APH1B
SCHEMBL20150382 0.86 KIF11 (0.42) GRM5PDE10AKIF11MAT2APTGDR2
SCHEMBL21108014 0.86 GRM5 (0.38) GRM5PDE10AKIF11MAT2AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (2 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 GRM5 4002/4885PDE10A 4760/4885KIF11 2577/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 GRM5 4002/4885PDE10A 4760/4885KIF11 2577/4885

“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.