SCHEMBL20150394

SCHEMBL20150394

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
GRM2 Q14416 1/20 0.32
CASP3 P42574 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
PTGER4 P35408 1/20 0.31
GRM5 P41594 1/20 0.31
SETDB1 Q15047 1/20 0.31
KMT2A Q03164 1/20 0.31
FLT3 P36888 2/20 0.31
KCNH2 Q12809 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL20156150 0.95 PTGER4 (0.36) CHEK1KDM5BGRM2PTGER4GRM5
SCHEMBL20150391 0.92 CHEK1 (0.36) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20114692 0.92 CHEK1 (0.34) CHEK1CASP3CYP11B1CYP11B2PTGER4
SCHEMBL20114587 0.92 CHEK1 (0.40) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20150387 0.91 MAPK14 (0.36) CHEK1KDM5BGRM2CYP11B1CYP11B2
SCHEMBL20150354 0.91 CHEK1 (0.34) CHEK1KDM5BGRM2CYP11B1CYP11B2
SCHEMBL20150412 0.91 CASP3 (0.35) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20156263 0.89 CYP11B1 (0.35) CHEK1GRM2CASP3CYP11B1CYP11B2
SCHEMBL20114586 0.89 CLK4 (0.38) CHEK1KMT2A
SCHEMBL20114574 0.89 GABRA1 (0.39) CHEK1PTGER4KMT2AFLT3GABRA1

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 2795/4885KDM5B 3115/4885GRM2 1828/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CHEK1 2795/4885KDM5B 3115/4885GRM2 1828/4885

“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.