SCHEMBL20150293

SCHEMBL20150293

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
TRPA1 O75762 2/20 0.33
IMPDH2 P12268 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
MAT2A P31153 1/20 0.32
TGFBR1 P36897 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 2/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20150304 0.97 AR (0.44) ARTRPA1IMPDH2CYP11B1CYP11B2
SCHEMBL20114682 0.93 TRPA1 (0.39) TRPA1CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL20150330 0.93 MAT2A (0.36) IMPDH2CYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL20150313 0.91 KDM4E (0.33) ARTRPA1CYP11B1CYP11B2ALDH1A1
SCHEMBL20114679 0.89 TRPA1 (0.41) ARTRPA1ALDH1A1HPGDKDM4E
SCHEMBL21116485 0.89 AR (0.48) ARTRPA1IMPDH2CYP11B1CYP11B2
SCHEMBL19942676 0.89 AR (0.35) ARTRPA1ALDH1A1HPGDKDM4E
SCHEMBL21108811 0.89 AR (0.40) ARTRPA1IMPDH2CYP11B1CYP11B2
SCHEMBL20114523 0.89 ALDH1A1 (0.38) CYP11B1CYP11B2ALDH1A1HPGDKDM4E
SCHEMBL20114671 0.89 L3MBTL1 (0.41) ALDH1A1HPGDKDM4EMAT2ACYP1A2

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 299/4885IMPDH2 3567/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885TRPA1 299/4885IMPDH2 3567/4885

“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.