SCHEMBL20150308

SCHEMBL20150308

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL20150325 0.97 ADORA1 (0.39) NPSR1KDM4EHPGDADORA2AADORA1
SCHEMBL20114522 0.94 CYP11B1 (0.37) NPSR1KDM4EHPGDABCG2CYP1A2
SCHEMBL20150294 0.94 ABCG2 (0.38) NPSR1KDM4EHPGDADORA2AADORA1
SCHEMBL20150309 0.93 ABCG2 (0.36) NPSR1KDM4EHPGDABCG2CYP1A2
SCHEMBL20150303 0.93 AR (0.40) KDM4EHPGDADORA2AADORA1ABCG2
SCHEMBL19953866 0.92 ALDH1A1 (0.37) NPSR1KDM4EHPGDABCG2CYP1A2
SCHEMBL20114663 0.91 CYP11B1 (0.39) NPSR1KDM4EHPGDABCG2CYP1A2
SCHEMBL20150333 0.90 L3MBTL1 (0.41) NPSR1KDM4EHPGDABCG2CYP1A2
SCHEMBL20156131 0.90 ABCG2 (0.39) KDM4EABCG2CYP1A2CYP2C9CYP2C19
SCHEMBL20114510 0.90 ABCG2 (0.40) NPSR1KDM4EHPGDADORA2AADORA1

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 NPSR1 1937/4885KDM4E 2860/4885HPGD 2446/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 NPSR1 1937/4885KDM4E 2860/4885HPGD 2446/4885

“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.