SCHEMBL10014905

SCHEMBL10014905

CC1=C(Cc2ccc3cccnc3c2C)N=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL10014880 0.86 PSMD14 (0.40) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL13065799 0.71 KDM4E (0.52) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL13065798 0.71 MAPT (0.52) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL642976 0.69 HTR3A (0.54) LMNAMAPTKDM4ECCR1CCR5
Hydrochloric Acid SCHEMBL20562678 0.68 LMNA (0.49) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL8404537 0.65 LMNA (0.68) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL22182812 0.65 LMNA (0.42) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL15830283 0.65 L3MBTL1 (0.50) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL27251616 0.63 CCR1 (0.54) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL20563940 0.63 EGLN1 (0.50) LMNAMAPTKDM4ECCR1CCR5

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 LMNA 1359/4885MAPT 2162/4885KDM4E 3836/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 LMNA 932/4885MAPT 2033/4885KDM4E 3646/4885

“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.