SCHEMBL20156208

SCHEMBL20156208

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)ccc2C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 1/20 0.35
NR3C1 P04150 1/20 0.34
STS P08842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TRPA1 O75762 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
TDP2 O95551 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GABRA5 P31644 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
SCHEMBL20156114 0.95 ALDH1A1 (0.34) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156214 0.94 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155975 0.91 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156205 0.91 NR3C1 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20150424 0.91 TDP2 (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156183 0.90 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL19943165 0.89 PTGER4 (0.36) ALDH1A1HPGDPTGER4STSFFAR4
SCHEMBL20115021 0.89 ALDH1A1 (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20155943 0.89 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20114718 0.89 ALDH1A1 (0.37) 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 2 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

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.