SCHEMBL20150331

SCHEMBL20150331

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAT2A P31153 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
PIK3CA P42336 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL20150330 0.94 MAT2A (0.36) ALDH1A1MAT2ALMNAHPGDMAPK1
SCHEMBL20150296 0.94 AR (0.39) ALDH1A1MAT2ASMN1; SMN2MAOAMAOB
SCHEMBL20150292 0.94 MAOA (0.35) ALDH1A1MAT2AMAOAMAOBCYP11B1
SCHEMBL20114998 0.93 KDM5B (0.35) ALDH1A1MAT2AMAOAMAOBCYP11B1
SCHEMBL20114676 0.93 CHEK1 (0.39) MAT2APIK3CAMAPT
SCHEMBL20114668 0.93 ALDH1A1 (0.40) ALDH1A1MAT2ALMNAHPGDMAPK1
SCHEMBL20150334 0.93 L3MBTL1 (0.44) ALDH1A1MAT2ALMNAHPGDMAPK1
SCHEMBL20114662 0.92 PTGER4 (0.33) ALDH1A1MAT2ALMNAMAPK1CYP11B1
SCHEMBL20156173 0.92 CHEK1 (0.32) MAT2ACYP11B1CYP11B2
SCHEMBL20115003 0.91 ALDH1A1 (0.32) ALDH1A1MAT2AS1PR1MAOAMAOB

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 ALDH1A1 387/4885MAT2A 2283/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885MAT2A 2283/4885LMNA 3586/4885

“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.