SCHEMBL971571

SCHEMBL971571

c1ccc(-c2nc(-c3ccccn3)cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR2C P28335 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TGFBR1 P36897 1/20 0.42
CCR1 P32246 2/20 0.42

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
SCHEMBL12579270 0.90 ALDH1A1 (0.48) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL970157 0.86 ALDH1A1 (0.49) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL973540 0.86 ALDH1A1 (0.49) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL973168 0.85 ADORA3 (0.49) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL17227621 0.84 KDM4E (0.58) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL17013886 0.84 ALDH1A1 (0.45) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL17013884 0.84 DHODH (0.46) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL17013907 0.83 KDM4E (0.44) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL971862 0.82 CCR1 (0.45) MAPK1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL971520 0.82 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2KDM4EHSD17B10TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 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 (1 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-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC MAPK1 1678/4885SMN1; SMN2 1021/4885KDM4E 2066/4885

“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.