SCHEMBL20150310

SCHEMBL20150310

Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)ccc4C#N)c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAT2A P31153 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AR P10275 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
IMPDH2 P12268 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20114998 0.95 KDM5B (0.35) GRIN1GRIN2BMAT2AKDM5BALDH1A1
SCHEMBL20150330 0.94 MAT2A (0.36) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20150302 0.93 AR (0.40) MAT2AKDM5BALDH1A1LMNAHPGD
SCHEMBL20150324 0.93 AR (0.36) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20114523 0.92 ALDH1A1 (0.38) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20156172 0.91 CYP1A2 (0.34) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20150316 0.91 AR (0.35) MAT2ACYP11B1CYP11B2ARSLC22A12
SCHEMBL20114509 0.90 KDM4E (0.35) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20115002 0.90 MAT2A (0.32) MAT2AALDH1A1LMNAHPGDMAPK1
SCHEMBL20114678 0.90 PTGER4 (0.37) MAT2AALDH1A1LMNAHPGDMAPK1

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 GRIN1 1800/4885GRIN2B 1713/4885MAT2A 2283/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 GRIN1 1800/4885GRIN2B 1713/4885MAT2A 2283/4885

“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.