SCHEMBL6069992

SCHEMBL6069992

CCc1nn2c(-c3ccc(S(C)(=O)=O)cc3Cl)nc(C)nc2c1C(CC)CC

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRH P06850 1/20 0.53
KMT2A Q03164 1/20 0.36
CRHR1 P34998 10/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL6070464 0.85 CRH (0.59) CRHCRHR1
SCHEMBL6070921 0.69 CRHR1 (0.43) CRHCRHR1
SCHEMBL6069631 0.69 CRHR1 (0.47) CRHCRHR1DPP4
SCHEMBL3151977 0.67 CRHR1 (0.70) CRHR1
SCHEMBL6070559 0.66 CRHR1 (0.55) CRHCRHR1DPP4
SCHEMBL6496629 0.65 CRHR1 (0.41) CRHCRHR1DPP4
SCHEMBL6495917 0.64 NPC1 (0.49) CRHR1
SCHEMBL6071090 0.63 CRHR1 (0.42) CRHCRHR1
SCHEMBL8149045 0.62 KMT2A (0.36) KMT2ACRHR1PTGDR2DPP4DPP7
SCHEMBL5426680 0.61 KMT2A (0.40) KMT2APTGDR2DPP4DPP7

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-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

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 3/4885KMT2A 3039/4885CRHR1 1/4885
US-20040176376-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH CRH 3/4885KMT2A 3039/4885CRHR1 1/4885

“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.