SCHEMBL4879083

SCHEMBL4879083

O=C(Nc1nccc2ccccc12)c1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
ROCK1 Q13464 1/20 0.46
CNR2 P34972 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
ADORA3 P0DMS8 11/20 0.45
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL5874038 0.83 ADORA3 (0.62) FDPSCNR2ADORA3RAB9A
SCHEMBL7464801 0.76 FDPS (0.47) FDPSCNR2ADORA3BRD4CREBBP
SCHEMBL1251769 0.75 CNR2 (0.53) FDPSCNR2ADORA3RAB9ALMNA
SCHEMBL28230042 0.75 NPC1 (0.53) FDPSCNR2ADORA3RAB9ALMNA
SCHEMBL7599559 0.75 FDPS (0.54) FDPSCNR2ADORA3BRD4CREBBP
SCHEMBL29825764 0.75 FDPS (0.54) FDPSCNR2ADORA3BRD4CREBBP
SCHEMBL3800642 0.74 SMN1; SMN2 (0.69) FDPSADORA3RAB9ALMNA
SCHEMBL4411955 0.73 FDPS (0.53) FDPSCNR2BRD4CREBBPRAB9A
SCHEMBL2361181 0.73 KDM4E (0.56) FDPSCNR2BRD4CREBBPRAB9A
SCHEMBL10051128 0.73 FDPS (0.53) FDPSCNR2ADORA3BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 FDPS 1269/4885ROCK1 4527/4885CNR2 119/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 FDPS 1269/4885ROCK1 4527/4885CNR2 119/4885

“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.