SCHEMBL20150330

SCHEMBL20150330

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
IMPDH2 P12268 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HIF1A Q16665 1/20 0.32
S1PR2 O95136 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
SCHEMBL20114671 0.96 L3MBTL1 (0.41) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20114523 0.96 ALDH1A1 (0.38) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20150324 0.94 AR (0.36) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20114521 0.94 ALDH1A1 (0.38) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20114509 0.94 KDM4E (0.35) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20150373 0.94 ALDH1A1 (0.38) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20150331 0.94 ALDH1A1 (0.35) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20114678 0.94 PTGER4 (0.37) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20114682 0.94 TRPA1 (0.39) MAT2AALDH1A1HPGDLMNAMAPK1
SCHEMBL20150310 0.94 GRIN1 (0.33) MAT2ASMN1; SMN2ALDH1A1HPGDLMNA

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 MAT2A 2283/4885SMN1; SMN2 4495/4885ALDH1A1 387/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 MAT2A 2283/4885SMN1; SMN2 4495/4885ALDH1A1 387/4885

“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.