SCHEMBL1461935

SCHEMBL1461935

COc1ccc2[nH]cc(CC(=O)Cl)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
GPR84 Q9NQS5 2/20 0.66
MTNR1A P48039 6/20 0.64
MTNR1B P49286 4/20 0.64
CYP2D6 P10635 2/20 0.63
HTR2B P41595 2/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
RAB9A P51151 2/20 0.61
CYP1A2 P05177 2/20 0.61
HTR1A P08908 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A1 P04798 1/20 0.61
MPO P05164 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
NQO2 P16083 1/20 0.61
CYP1B1 Q16678 1/20 0.61

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
SCHEMBL1395687 0.89 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BCYP2D6
Hydrochloric Acid SCHEMBL5013119 0.87 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL674415 0.87 KDM4E (1.00) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL2633259 0.87 KDM4E (0.79) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL6945002 0.86 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL2686551 0.86 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL2625194 0.84 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL14665122 0.84 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL11746973 0.84 KDM4E (0.80) KDM4EGPR84MTNR1AMTNR1BCYP2D6
SCHEMBL24496999 0.83 KDM4E (0.73) KDM4EGPR84MTNR1AMTNR1BCYP2D6

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 KDM4E 3637/4885GPR84 3432/4885MTNR1A 4110/4885
US-20120184546-A1 [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3699/4885GPR84 3177/4885MTNR1A 4077/4885

“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.