SCHEMBL20150307

SCHEMBL20150307

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.35
GRM2 Q14416 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
HPGD P15428 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL20150311 0.94 KDM4E (0.36) ABCG2GRM2NPSR1CYP1A2CYP2C9
SCHEMBL21108399 0.92 CYP1A2 (0.36) ABCG2GRM2NPSR1CYP1A2CYP2C9
SCHEMBL20150319 0.91 AR (0.41) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL20150294 0.91 ABCG2 (0.38) ABCG2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL21108029 0.90 GRM2 (0.36) ABCG2GRM2NPSR1CYP1A2CYP2C9
SCHEMBL20793940 0.90 ALDH1A1 (0.34) ABCG2GRM2NPSR1CYP1A2CYP2C9
SCHEMBL21108392 0.90 GRM2 (0.35) ABCG2GRM2NPSR1CYP1A2CYP2C9
SCHEMBL21116552 0.90 AR (0.38) GRM2KDM4EHPGDALDH1A1TDP1
SCHEMBL19942715 0.89 ADORA1 (0.36) NPSR1KDM4EADORA2AADORA1HPGD
SCHEMBL21364957 0.89 TRPA1 (0.35) GRM2NPSR1CYP1A2CYP2C9CYP2C19

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 ABCG2 2585/4885GRM2 1828/4885NPSR1 1937/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885GRM2 1828/4885NPSR1 1937/4885

“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.