SCHEMBL4167948

SCHEMBL4167948

CCCc1nc(N(C)c2ccccc2)n2ncc(-c3ccccc3Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CRHR1 P34998 3/20 0.37
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADORA2A P29274 2/20 0.32
GSK3B P49841 1/20 0.32
HSD11B1 P28845 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
DPP4 P27487 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL4165752 0.81 CRHR1 (0.32) CRHR1
SCHEMBL4164259 0.81 CRHR1 (0.33) CRHR1
SCHEMBL4168938 0.81 TP53 (0.40) RAB9ANPC1CRHR1KDM4EALDH1A1
SCHEMBL4166222 0.77 GSK3B (0.41) RAB9ANPC1CRHR1GPR119KDM4E
SCHEMBL4166669 0.73 ALDH1A1 (0.34) KDM4EALDH1A1MEN1KMT2AADORA2A
SCHEMBL4158630 0.72 TSHR (0.31) MAPTKMT2A
SCHEMBL4166724 0.71 EGFR (0.38) MAPT
SCHEMBL4175777 0.68 RAB9A (0.50) RAB9ANPC1CRHR1KDM4EALDH1A1
SCHEMBL4171837 0.68 HDAC1 (0.36) CRHR1
SCHEMBL17628629 0.68 SRC (0.34) CRHR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US claimed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US claimed
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US disclosed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 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-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same PMP22, BDNF, GRIK5 RAB9A 2946/4885NPC1 303/4885CRHR1 1700/4885
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF RAB9A 2437/4885NPC1 1369/4885CRHR1 107/4885

“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.