SCHEMBL4170000

SCHEMBL4170000

CCC(O)c1cnn2c(N(C)c3ccccc3)nc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
CDK7 P50613 4/20 0.33
CDK5 Q00535 3/20 0.33
CDK2 P24941 3/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNT1 O60563 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK9 P50750 2/20 0.33
CCNH P51946 2/20 0.33
CCNA2 P20248 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
INSRR P14616 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL4158566 0.85 CRHR1 (0.42) CRHR1ALDH1A1SMN1; SMN2
SCHEMBL6833888 0.79 CRHR1 (0.45) CRHR1LMNANPC1ALDH1A1RAB9A
SCHEMBL4168717 0.76 CRHR1 (0.46) CRHR1CDK2NPC1ALDH1A1RAB9A
SCHEMBL4180510 0.76 KDR (0.46) CRHR1LMNANPC1ALDH1A1RAB9A
SCHEMBL4175777 0.75 RAB9A (0.50) CRHR1LMNANPC1ALDH1A1RAB9A
SCHEMBL4178920 0.75 CRHR1 (0.40) CRHR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4173865 0.75 KDM4E (0.55) CDK2CCNA2NPC1ALDH1A1RAB9A
SCHEMBL6689493 0.73 CRHR1 (0.44) CRHR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4173893 0.73 CRHR1 (0.44) CRHR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6691180 0.71 CRHR1 (0.43) CRHR1LMNANPC1ALDH1A1RAB9A

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 2 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

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 CRHR1 1700/4885CDK7 1550/4885CDK5 20/4885
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 CRHR1 107/4885CDK7 2944/4885CDK5 244/4885

“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.