SCHEMBL20114533

SCHEMBL20114533

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3ccccc3c3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
GRM5 P41594 2/20 0.36
MAT2A P31153 5/20 0.36
PDE10A Q9Y233 1/20 0.33
SGPL1 O95470 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PTGER4 P35408 1/20 0.33
S1PR1 P21453 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDPK1 O15530 1/20 0.32
CNR1 P21554 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
SCHEMBL20156271 0.95 GRM5 (0.37) KIF11GRM5MAT2APDE10APSEN1
SCHEMBL22268415 0.92 KIF11 (0.42) KIF11GRM5MAT2ASGPL1PSEN1
SCHEMBL20150382 0.92 KIF11 (0.42) KIF11GRM5MAT2APDE10ASGPL1
SCHEMBL20150341 0.91 HCRTR1 (0.35) KIF11GRM5MAT2APDE10APSEN1
SCHEMBL20150337 0.91 PTGER4 (0.36) KIF11PTGER4
SCHEMBL20156275 0.90 PTGER4 (0.34) KIF11GRM5PDE10APTGER4GPBAR1
SCHEMBL20114537 0.90 PTGER4 (0.36) GRM5MAT2APDE10APTGER4
SCHEMBL21108008 0.88 KIF11 (0.43) KIF11GRM5MAT2APDE10APTGER4
SCHEMBL21108306 0.88 KIF11 (0.43) KIF11GRM5MAT2APDE10A
SCHEMBL20150357 0.87 PTGER4 (0.33) KIF11GRM5MAT2APTGER4GPBAR1

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 3 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
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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.