SCHEMBL20150383

SCHEMBL20150383

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
KIF11 P52732 2/20 0.35
MAT2A P31153 5/20 0.34
S1PR1 P21453 1/20 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
PDE10A Q9Y233 1/20 0.34
IDH1 O75874 1/20 0.33
DDR1 Q08345 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL20150382 0.95 KIF11 (0.42) GRM5PTGDR2KIF11MAT2AS1PR1
SCHEMBL20156271 0.91 GRM5 (0.37) GRM5PTGDR2KIF11MAT2AS1PR1
SCHEMBL20114693 0.90 CSNK1D (0.36) KIF11
SCHEMBL20150399 0.89 RXRA (0.34) GRM5KIF11DGAT1SOAT1KCNH2
SCHEMBL20114573 0.88 CASP3 (0.38) MAT2A
SCHEMBL20150341 0.87 HCRTR1 (0.35) GRM5PTGDR2KIF11MAT2AS1PR1
SCHEMBL20114533 0.86 KIF11 (0.42) GRM5PTGDR2KIF11MAT2AS1PR1
SCHEMBL21108364 0.85 KIF11 (0.39) GRM5KIF11MAT2APDE10ATSHR
SCHEMBL20150377 0.85 PTGER4 (0.36) KIF11
SCHEMBL20150376 0.85 ITK (0.36) MAT2A

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 4 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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 4002/4885PTGDR2 989/4885KIF11 2577/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 GRM5 4002/4885PTGDR2 989/4885KIF11 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.