SCHEMBL31923

SCHEMBL31923

COC(=O)c1cnc(C)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
NR3C1 P04150 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL754657 0.84 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2649515 0.84 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2650690 0.84 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL192118 0.84 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28041813 0.83 KDM4E (0.41) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL3560430 0.83 KDM4E (0.46) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL1341382 0.80 SMN1; SMN2 (0.39) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL25784214 0.77 TSHR (0.44) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL23146727 0.77 NPC1 (0.53) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL21746957 0.76 NFKB1 (0.55) MAPTSMN1; SMN2NPC1RAB9ANFKB1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402349-B1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2016-04-06 EP disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
EP-2810945-A1 Dihydrochloride salt of a tricyclic pyrazolopyrimidine derivative Daiichi Sankyo Company, Limited (JP) 2014-12-10 EP disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
WO-2012026433-A1 FREE CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO disclosed
WO-2012026434-A1 CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
WO-2010098344-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-02 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-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB2P, HSP90B1, HSP90AA1 MAPT 2315/4885SMN1; SMN2 4526/4885NPC1 2078/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 MAPT 1643/4885SMN1; SMN2 4213/4885NPC1 1201/4885

“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.