SCHEMBL5449490

SCHEMBL5449490

CSc1nc(Cl)n2nc(-c3ccccc3)cc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
LMNA P02545 1/20 0.70
KDM4E B2RXH2 8/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL10630094 0.83 NPC1 (0.67) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL10634619 0.80 NPC1 (0.67) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL23998420 0.80 ABCB1 (0.49) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL24693478 0.76 NPC1 (0.44) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL10628296 0.74 RAB9A (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL5458250 0.73 RAB9A (0.57) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL10628212 0.73 NPC1 (0.57) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL13133556 0.71 MAPT (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL7521036 0.71 KDM4E (0.56) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL7063800 0.71 RAB9A (0.71) NPC1RAB9ALMNAKDM4EMAPT

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-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US disclosed
US-4565815-A Pyrazolo[1,5-a]-1,3,5-triazines BIOMEASURE, INC. (US) 1986-01-21 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 (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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 NPC1 801/4885RAB9A 3001/4885LMNA 3910/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 NPC1 801/4885RAB9A 3001/4885LMNA 3910/4885

“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.