SCHEMBL1643902

SCHEMBL1643902

N/N=C\c1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
HPGD P15428 1/20 0.68
SENP7 Q9BQF6 4/20 0.58
CYP2A6 P11509 1/20 0.58
IMPDH2 P12268 1/20 0.58
GAA P10253 4/20 0.58
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
PTGS2 P35354 3/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP8 Q96LD8 2/20 0.53
SENP6 Q9GZR1 2/20 0.53

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
SCHEMBL13622497 1.00 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL29786168 1.00 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL1643903 1.00 HTT (0.68) HTTHPGDSENP7CYP2A6IMPDH2
Water SCHEMBL9669666 0.98 HTT (0.66) HTTHPGDSENP7CYP2A6IMPDH2
Water SCHEMBL9669674 0.98 HTT (0.66) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL3349880 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL15930268 0.84 HTT (0.72) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL2189141 0.81 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL31355128 0.81 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2
SCHEMBL5167169 0.81 HTT (1.00) HTTHPGDSENP7CYP2A6IMPDH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
EP-1458687-A4 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2005-03-23 EP claimed
EP-1458687-A2 PYRIMIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2004-09-22 EP claimed
WO-2003047516-A2 PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2003-06-12 WO claimed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 HTT 4173/4885HPGD 424/4885SENP7 1852/4885

“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.