SCHEMBL20160862

SCHEMBL20160862

CCCc1nc(-c2cccnc2)nc(-c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2A6 P11509 3/20 0.48
CYP3A4 P08684 5/20 0.47
CYP1A2 P05177 5/20 0.47
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
GBA1 P04062 3/20 0.44

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
SCHEMBL12551646 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL29543568 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL5032444 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL19524809 0.80 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1MAPTHPGDHSD17B10
SCHEMBL9975322 0.77 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL15046261 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL27552500 0.76 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPTHPGDHSD17B10
SCHEMBL17834294 0.76 CYP11B2 (0.48) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL5590272 0.75 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL5590400 0.75 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTHPGDHTT

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-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 PPARA 211/4885SMN1; SMN2 3217/4885ALDH1A1 928/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 PPARA 211/4885SMN1; SMN2 3217/4885ALDH1A1 928/4885

“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.