SCHEMBL6465708

SCHEMBL6465708

CCc1cc2ccccc2[c]n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL6470193 0.85 KDM4E (0.40) CYP1A2SMN1; SMN2ABCB11LMNACYP2D6
SCHEMBL9310605 0.82 ABCB11 (0.44) CYP1A2ABCB11LMNACYP2D6SCN1A
SCHEMBL6841772 0.81 HTR2A (0.35) CYP1A2CYP2A6CYP2D6
SCHEMBL2139890 0.78 CALM1 (0.38) SMN1; SMN2TDP1
SCHEMBL4457753 0.77 PDE4A (0.32)
SCHEMBL9870201 0.74 ALDH1A1 (0.35) CYP2A6TDP1
SCHEMBL558134 0.74 CYP1A2 (0.43) CYP1A2CYP2A6SMN1; SMN2TDP1
SCHEMBL1879034 0.69 PDPK1 (0.43) CYP1A2SMN1; SMN2LMNATDP1
SCHEMBL9479758 0.69 MIF (0.31)
SCHEMBL2589453 0.69 CYP1A2 (0.33) CYP1A2CYP2A6

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (1 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 CYP1A2 103/4885CYP2A6 905/4885SMN1; SMN2 3519/4885

“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.