SCHEMBL939779

SCHEMBL939779

CC(C)c1c(N)ccc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL924270 0.85 ALDH1A1 (0.37) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL6751624 0.82 LMNA (0.31) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL6357268 0.82 POLB (0.41) CD44ALDH1A1GAATP53CYP3A4
SCHEMBL29671489 0.82 LMNA (0.31) CD44ALDH1A1GAAALOX12HTT
SCHEMBL5573258 0.82 LMNA (0.31) CD44ALDH1A1GAAALOX12HTT
SCHEMBL3295814 0.82 CD44 (0.41) CD44ALDH1A1GAAALOX12HTT
SCHEMBL841515 0.74 CYP3A4 (0.48) CD44ALDH1A1GAAALOX12HTT
SCHEMBL2922690 0.74 KDM4E (0.42) ALDH1A1GAACYP3A4THRBALOX15
SCHEMBL11220054 0.74 ALDH1A1 (0.43) ALDH1A1HIF1AMAOAMAOB
SCHEMBL2928246 0.74 KDM4E (0.42) ALDH1A1GAACYP3A4THRBALOX15

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-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 CD44 4444/4885ALDH1A1 3546/4885GAA 2799/4885

“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.