SCHEMBL20114514

SCHEMBL20114514

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.33
PTGER4 P35408 2/20 0.33
MAT2A P31153 1/20 0.32
XDH P47989 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
KIF11 P52732 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20150295 0.95 XDH (0.34) MAT2AXDHALDH1A1NPSR1KDM4E
SCHEMBL20114667 0.91 KIF11 (0.42) MAT2AKIF11SMN1; SMN2
SCHEMBL20150330 0.90 MAT2A (0.36) SLC22A12PTGER4MAT2AALDH1A1MAPK1
SCHEMBL21116249 0.88 KIF11 (0.36) SLC22A12MAT2AKDM4EKIF11
SCHEMBL19942754 0.88 CYP1A2 (0.32) SLC22A12PTGER4MAT2AALDH1A1NPSR1
SCHEMBL19942706 0.88 PTGER4 (0.32) PTGER4ALDH1A1MAPTMAPK1NPSR1
SCHEMBL20114521 0.87 ALDH1A1 (0.38) SLC22A12PTGER4MAT2AALDH1A1MAPK1
SCHEMBL20114509 0.87 KDM4E (0.35) SLC22A12MAT2AALDH1A1MAPTMAPK1
SCHEMBL20150373 0.87 ALDH1A1 (0.38) SLC22A12PTGER4MAT2AALDH1A1MAPK1
SCHEMBL20114524 0.86 PTGER4 (0.38) SLC22A12PTGER4MAT2AALDH1A1MAPT

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 5 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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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 SLC22A12 2009/4885PTGER4 1809/4885MAT2A 2283/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 SLC22A12 2009/4885PTGER4 1809/4885MAT2A 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.