SCHEMBL1462783

SCHEMBL1462783

c1nc2c3cscc3ncn2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.33
NCOA1 Q15788 2/20 0.33
NCOA3 Q9Y6Q9 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1460808 0.62 MAOB (0.42) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL3787524 0.61 HTT (0.55) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL9852518 0.60 KDM4E (0.33) ALDH1A1HTTKDM4ENCOA1NCOA3
SCHEMBL21672392 0.56 MEN1 (0.36) ALDH1A1HTTMEN1KMT2A
SCHEMBL22911106 0.55 MEN1 (0.42) ALDH1A1HTTMEN1KMT2A
SCHEMBL795326 0.49
SCHEMBL736971 0.48 NUDT1 (0.50) ALDH1A1HTTKDM4E
SCHEMBL15760556 0.48 PDE10A (0.38) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL19942300 0.48 PDE10A (0.38) ALDH1A1HTTKDM4EHPGD
SCHEMBL1811759 0.48 AXL (0.52) ALDH1A1HTTKDM4ENCOA1NCOA3

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
US-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8580783-B2 [1,2,4]triazolo [1,5-c]pyrimidine derivatives as Hsp90 modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-12 US disclosed
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2012-07-19 US disclosed
EP-2475665-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS Nerviano Medical Sciences S.r.l. (IT) 2012-07-18 EP disclosed
WO-2011029775-A1 [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-03-17 WO 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-20140045836-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1300/4885HTT 34/4885MEN1 4673/4885
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 848/4885HTT 39/4885MEN1 4630/4885

“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.