SCHEMBL20150382

SCHEMBL20150382

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
GRM5 P41594 2/20 0.36
MAT2A P31153 5/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
SGPL1 O95470 2/20 0.33
PTGER4 P35408 1/20 0.33
S1PR1 P21453 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PDPK1 O15530 1/20 0.32
CNR1 P21554 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL20150383 0.95 GRM5 (0.37) KIF11GRM5MAT2APTGDR2S1PR1
SCHEMBL20114533 0.92 KIF11 (0.42) KIF11GRM5MAT2APTGDR2SGPL1
SCHEMBL20150377 0.91 PTGER4 (0.36) KIF11PTGER4
SCHEMBL20155963 0.90 PTGER4 (0.34) KIF11GRM5PTGER4GPBAR1PDPK1
SCHEMBL20156176 0.90 PTGER4 (0.36) GRM5PTGER4
SCHEMBL20996884 0.88 KIF11 (0.39) KIF11GRM5MAT2APDPK1
SCHEMBL21108306 0.88 KIF11 (0.43) KIF11GRM5MAT2APDE10A
SCHEMBL20114551 0.86 TDO2 (0.35) PTGER4PDE10A
SCHEMBL20156271 0.86 GRM5 (0.37) KIF11GRM5MAT2APTGDR2S1PR1
SCHEMBL21108008 0.86 KIF11 (0.43) KIF11GRM5MAT2APTGER4S1PR1

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 KIF11 2577/4885GRM5 4002/4885MAT2A 2283/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 KIF11 2577/4885GRM5 4002/4885MAT2A 2283/4885

“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.