SCHEMBL20150391

SCHEMBL20150391

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
GRM2 Q14416 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.33
CASP3 P42574 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
FLT3 P36888 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 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
SCHEMBL20114587 0.95 CHEK1 (0.40) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20150415 0.95 PTGER4 (0.36) CHEK1GRM2MAPKAPK2FLT3KDM4E
SCHEMBL20150394 0.92 CHEK1 (0.34) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20114574 0.92 GABRA1 (0.39) CHEK1ALDH1A1FLT3KDM4EHPGD
SCHEMBL20150412 0.92 CASP3 (0.35) CHEK1GRM2ALDH1A1CASP3CYP11B1
SCHEMBL20114692 0.91 CHEK1 (0.34) CHEK1CASP3CYP11B1CYP11B2PTGER4
SCHEMBL20150396 0.91 MAPKAPK2 (0.37) CHEK1GRM2MAPKAPK2ALDH1A1CYP2A6
SCHEMBL20150346 0.91 CHEK1 (0.36) CHEK1GRM2MAPKAPK2ALDH1A1CYP2A6
SCHEMBL20150376 0.91 ITK (0.36) GRM2ALDH1A1CYP2A6CASP3CSNK1A1
SCHEMBL20156218 0.90 PTGER4 (0.39) CHEK1GRM2PIK3CDPIK3CAHRH4

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 CHEK1 2795/4885GRM2 1828/4885MAPKAPK2 3348/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885GRM2 1828/4885MAPKAPK2 3348/4885

“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.