SCHEMBL20150304

SCHEMBL20150304

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
TRPA1 O75762 2/20 0.35
MAT2A P31153 1/20 0.34
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 3/20 0.33
HPGD P15428 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
TGFBR1 P36897 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSD P07339 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
SCHEMBL20150293 0.97 AR (0.41) ARTRPA1MAT2AIMPDH2ALDH1A1
SCHEMBL20114679 0.92 TRPA1 (0.41) ARTRPA1MAT2AALDH1A1CYP1A2
SCHEMBL20150331 0.90 ALDH1A1 (0.35) MAT2AALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL20114682 0.89 TRPA1 (0.39) TRPA1MAT2AALDH1A1CYP1A2HPGD
SCHEMBL20150330 0.89 MAT2A (0.36) MAT2AIMPDH2ALDH1A1CYP1A2HPGD
SCHEMBL21116529 0.89 AR (0.51) ARTRPA1MAT2AIMPDH2ALDH1A1
SCHEMBL20150315 0.88 HSP90AB1 (0.32) ARALDH1A1HSD17B10TSHRNPSR1
SCHEMBL20150313 0.88 KDM4E (0.33) ARTRPA1MAT2AALDH1A1CYP11B1
SCHEMBL19942678 0.88 AR (0.37) ARTRPA1ALDH1A1CYP1A2HPGD
SCHEMBL21108408 0.88 AR (0.42) ARTRPA1MAT2AIMPDH2ALDH1A1

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
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 AR 3892/4885TRPA1 299/4885MAT2A 2283/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885TRPA1 299/4885MAT2A 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.