SCHEMBL10014903

SCHEMBL10014903

Cc1c(C(=O)c2cn(C)cn2)ccc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GLO1 Q04760 1/20 0.42
EGLN1 Q9GZT9 4/20 0.41
PARP1 P09874 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 2/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
GMNN O75496 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 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
SCHEMBL642980 0.80 ALDH1A1 (0.40) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL644794 0.74 ALDH1A1 (0.68) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL13943232 0.74 ALDH1A1 (0.54) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL15445449 0.71 ALDH1A1 (0.50) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL3502575 0.71 KDM4E (0.56) ALDH1A1EGLN1LMNASMN1; SMN2KDM4E
SCHEMBL10014904 0.70 ALDH1A1 (0.43) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL14136247 0.70 ALDH1A1 (0.49) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL9983599 0.70 ALDH1A1 (0.49) ALDH1A1EGLN1PARP1LMNAMAPT
SCHEMBL23714060 0.68 EGLN1 (0.56) ALDH1A1EGLN1NPC1CASP3RAB9A
SCHEMBL5540582 0.67 LMNA (0.58) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E

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 ALDH1A1 899/4885GLO1 3540/4885EGLN1 3285/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 ALDH1A1 1423/4885GLO1 3588/4885EGLN1 3889/4885

“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.