SCHEMBL20156183

SCHEMBL20156183

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)ccc2C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A3 P47895 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PIN1 Q13526 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL20156266 0.96 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20114718 0.93 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156184 0.92 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155975 0.92 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20150422 0.92 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155972 0.91 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20150424 0.90 TDP2 (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20155943 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156208 0.90 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL20156212 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; 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 387/4885LMNA 3586/4885MAPK1 1664/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885LMNA 3586/4885MAPK1 1664/4885

“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.