SCHEMBL10050407

SCHEMBL10050407

[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
MAPK10 P53779 1/20 0.40
ADORA1 P30542 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ADORA2A P29274 2/20 0.34
USP1 O94782 2/20 0.34
USP19 O94966 1/20 0.34
UCHL3 P15374 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL12226943 0.87 ADORA1 (0.36) MAPK14MAPK10ADORA1MAOBADORA2A
SCHEMBL10050404 0.82 IDO1 (0.40) MAPK14ALDH1A1MAOBALDH1A3MAPK13
SCHEMBL10050405 0.78 RORB (0.35) ADORA1SMN1; SMN2MAOBADORA2A
SCHEMBL10075449 0.77 ADORA1 (0.41) MAPK14MAPK10ADORA1ALDH1A1SMN1; SMN2
SCHEMBL10050406 0.76 ADORA2A (0.45) MAPK14ADORA1ALDH1A1MAPTMAOB
SCHEMBL10050429 0.76 MEN1 (0.41) MAPK14MAPK10ALDH1A1SMN1; SMN2MAPT
SCHEMBL12226915 0.75 ERBB2 (0.35) MAPK14MAPK10ADORA1ALDH1A1ADORA2A
SCHEMBL12226940 0.75 USP8 (0.30) USP8
SCHEMBL10050403 0.73 AR (0.52)
SCHEMBL12226933 0.73 MYC (0.34) MAPK14ALDH1A1SMN1; SMN2MAPTMAOB

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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 (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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 MAPK14 3149/4885MAPK10 2605/4885ADORA1 2796/4885

“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.