SCHEMBL6071429

SCHEMBL6071429

CCc1nn2c(-c3ccccc3)nc(C)nc2c1C(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRH P06850 1/20 0.46
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
PDPK1 O15530 1/20 0.35
PDE10A Q9Y233 2/20 0.35
DHFR P00374 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL23828544 0.60 ADORA1 (0.47) ADORA3ADORA1PDPK1PDE10AMAPT
SCHEMBL23828397 0.59 PDPK1 (0.46) ADORA3ADORA1PDPK1PDE10AMAPT
SCHEMBL679761 0.57 NR1H3 (0.68) MAPTNPC1TSHRRAB9AKDM4E
SCHEMBL12368269 0.57 HEXA (0.73) DHFRHEXAHEXBTP53SMN1; SMN2
SCHEMBL11738666 0.57 ADORA3 (0.49) ADORA3ADORA1DHFRHEXAHEXB
SCHEMBL12343973 0.56 NR1H3 (0.59) NPC1TSHRRAB9A
SCHEMBL14665733 0.56 CHEK1 (0.49) ADORA3DHFRHEXAHEXBMAPT
SCHEMBL9076864 0.56 HEXA (0.53) DHFRHEXAHEXBMAPTTP53
SCHEMBL10444877 0.55 ALDH1A1 (0.47) ADORA3ADORA1DHFRHEXAHEXB
SCHEMBL29533750 0.55 ALDH1A1 (0.56) MAPTNPC1TSHRRAB9ASMN1; SMN2

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-7026317-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-04-11 US disclosed
US-6960583-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-20040176376-A1 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-09 US disclosed
US-20020147338-A1 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-10 US disclosed
WO-2000059907-A2 PYRAZOLOTRIAZINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20020147338-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH CRH 3/4885ADORA3 404/4885ADORA1 272/4885
US-20040176376-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH CRH 3/4885ADORA3 404/4885ADORA1 272/4885

“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.