SCHEMBL20115134

SCHEMBL20115134

Cc1nc(C)nc(-c2ccc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)cc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 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
SCHEMBL20115138 0.95 ALDH1A1 (0.33) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20115144 0.91 CSNK1D (0.33) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20156225 0.90 MAT2A (0.36) SMN1; SMN2
SCHEMBL20115005 0.86 ALDH1A1 (0.33) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL21108410 0.86 ALDH1A1 (0.34) ALDH1A1CSNK1DCSNK1G2
SCHEMBL20156287 0.86 GRM2 (0.34) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20150425 0.85 KIF11 (0.42) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20156141 0.85 TDP2 (0.36) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20114697 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD
SCHEMBL20114657 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2LMNAHPGD

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 ALDH1A1 387/4885MAPK1 1664/4885SMN1; SMN2 4495/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885MAPK1 1664/4885SMN1; SMN2 4495/4885

“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.