SCHEMBL20150412

SCHEMBL20150412

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.35
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 1/20 0.34
CHEK1 O14757 1/20 0.34
PTGER4 P35408 1/20 0.33
KMT2A Q03164 3/20 0.33
SETDB1 Q15047 1/20 0.33
GRM2 Q14416 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
CRHR1 P34998 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL20648358 0.95 CYP11B2 (0.34) CASP3CYP11B2CYP11B1CHEK1PTGER4
SCHEMBL20114694 0.94 PTGER4 (0.38) CASP3CHEK1PTGER4KMT2AGABRA1
SCHEMBL20114587 0.94 CHEK1 (0.40) CASP3CYP11B2CYP11B1CHEK1PTGER4
SCHEMBL21090059 0.93 L3MBTL1 (0.40) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL20114661 0.93 L3MBTL1 (0.40) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL20655562 0.93 CHEK1 (0.39) CYP11B2CHEK1PTGER4KMT2AGRM2
SCHEMBL20114573 0.92 CASP3 (0.38) CASP3SETDB1GABRA1GABRG2GABRB3
SCHEMBL20150391 0.92 CHEK1 (0.36) CASP3CYP11B2CYP11B1CHEK1PTGER4
SCHEMBL20114692 0.92 CHEK1 (0.34) CASP3CYP11B2CYP11B1CHEK1PTGER4
SCHEMBL20150394 0.91 CHEK1 (0.34) CASP3CYP11B2CYP11B1CHEK1PTGER4

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 CASP3 4223/4885CYP11B2 1259/4885CYP11B1 1765/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CASP3 4223/4885CYP11B2 1259/4885CYP11B1 1765/4885

“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.