SCHEMBL20115005

SCHEMBL20115005

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)ccc2C#N)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 3/20 0.32
KIF11 P52732 2/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
AR P10275 3/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GLA P06280 2/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL20115144 0.95 CSNK1D (0.33) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20115138 0.92 ALDH1A1 (0.33) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150426 0.91 KIF11 (0.42) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114659 0.90 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114655 0.90 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL19942740 0.88 SLC22A12 (0.32) ALDH1A1SLC22A12KIF11
SCHEMBL20114644 0.87 ALDH1A1 (0.36) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150424 0.86 TDP2 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155943 0.86 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20115134 0.86 ALDH1A1 (0.33) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2

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 387/4885HPGD 2446/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885HPGD 2446/4885LMNA 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.