SCHEMBL16977293

SCHEMBL16977293

Cc1cc2c(s1)C(=C(C#N)C#N)CC2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
NOTUM Q6P988 2/20 0.32
PNMT P11086 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
SCHEMBL18078438 0.80 NOTUM (0.36) EGFRNOTUM
SCHEMBL13963484 0.74 PNMT (0.43) NOS3NOS2NOTUMPNMT
SCHEMBL12951124 0.67 ALDH1A1 (0.35) EGFR
SCHEMBL2775298 0.66 PNMT (0.37) NOS3NOS2NOTUMPNMT
SCHEMBL19410119 0.64 EGFR (0.61) EGFR
SCHEMBL16977300 0.63 MEN1 (0.31)
SCHEMBL15001031 0.63 PNMT (0.43) NOS3NOS2NOTUMPNMT
SCHEMBL11965072 0.62 KDM4E (0.56) NOTUM
SCHEMBL6285970 0.62 EGFR (1.00) EGFR
SCHEMBL1823806 0.61 NOS3 (0.39) NOS3NOS2PNMT

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-20160351342-A1 HOLE TRANSPORTING AND LIGHT ABSORBING MATERIAL FOR SOLID STATE SOLAR CELLS UNIVERSITAT ULM (DE) 2016-12-01 US disclosed
WO-2015114521-A1 HOLE TRANSPORTING AND LIGHT ABSORBING MATERIAL FOR SOLID STATE SOLAR CELLS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-08-06 WO disclosed
EP-2903047-A1 Hole transporting and light absorbing material for solid state solar cells Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2015-08-05 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 (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-20160351342-A1 HOLE TRANSPORTING AND LIGHT ABSORBING MATERIAL FOR SOLID STATE SOLAR CELLS SLC43A1, SLC7A5, SLC29A1 EGFR 4374/4885NOS3 4183/4885NOS2 3572/4885

“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.