SCHEMBL10014880

SCHEMBL10014880

CC1=C(Cc2cccc3cccnc23)N=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.40
COPS5 Q92905 1/20 0.40
HTR5A P47898 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GCK P35557 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
HTT P42858 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL10014905 0.86 LMNA (0.40) PSMD14COPS5L3MBTL1ALDH1A1KDM4E
SCHEMBL12082441 0.78 ADRA2A (0.43) ALDH1A1KDM4ELMNAMAPTCYP3A4
SCHEMBL12082542 0.70 TSHR (0.40) L3MBTL1ALDH1A1TSHRCYP3A4HIF1A
SCHEMBL643810 0.69 KDM4E (0.54) PSMD14COPS5HTR5AL3MBTL1ALDH1A1
SCHEMBL9407051 0.68 PAX8 (0.53) PSMD14COPS5L3MBTL1ALDH1A1KDM4E
SCHEMBL6912855 0.68 HTR5A (0.54) PSMD14COPS5HTR5AL3MBTL1ALDH1A1
SCHEMBL9864182 0.67 PSMD14 (0.44) PSMD14COPS5L3MBTL1ALDH1A1KDM4E
SCHEMBL644231 0.67 HTR3A (0.59) PSMD14COPS5HTR5AL3MBTL1ALDH1A1
Hno SCHEMBL28954421 0.66 KDM4E (0.50) PSMD14COPS5HTR5AL3MBTL1ALDH1A1
SCHEMBL1709266 0.66 KDM4E (0.50) PSMD14COPS5HTR5AL3MBTL1ALDH1A1

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-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 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-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 PSMD14 3891/4885COPS5 724/4885HTR5A 2716/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 PSMD14 3048/4885COPS5 1384/4885HTR5A 51/4885

“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.