SCHEMBL20150341

SCHEMBL20150341

Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cc(C#N)ccc3-c3nc(C)nc(C)n3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GRM5 P41594 2/20 0.35
PDE10A Q9Y233 1/20 0.34
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
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KIF11 P52732 2/20 0.33
ITK Q08881 1/20 0.33
S1PR1 P21453 1/20 0.33
MAT2A P31153 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CNR1 P21554 2/20 0.32
DGAT1 O75907 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 0.96 GRM5 (0.37) GRM5PDE10APSEN1PSEN2APH1B
SCHEMBL20114533 0.91 KIF11 (0.42) GRM5PDE10APSEN1PSEN2APH1B
SCHEMBL20114637 0.90 ITK (0.38) ITKMAT2A
SCHEMBL20150383 0.87 GRM5 (0.37) GRM5PDE10AKIF11S1PR1MAT2A
SCHEMBL22268416 0.87 GRM5 (0.39) GRM5PDE10APSEN1PSEN2APH1B
SCHEMBL20114529 0.86 CSNK1D (0.36) KIF11
SCHEMBL20114635 0.85 ITK (0.35) PDE10AITK
SCHEMBL20156274 0.85 RXRA (0.34) HCRTR1HCRTR2GRM5PSEN1PSEN2
SCHEMBL20114538 0.84 TDP2 (0.34) ITKMAT2A
SCHEMBL20150356 0.84 SYK (0.33) HCRTR1HCRTR2GRM5PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HCRTR1 210/4885HCRTR2 63/4885GRM5 4002/4885

“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.