SCHEMBL1718008

SCHEMBL1718008

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N1CCc2ccccc2C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.72
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 6/20 0.57
CASP1 P29466 3/20 0.57
CASP7 P55210 3/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 5/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 5/20 0.55
THRB P10828 2/20 0.55
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL1719074 0.93 USP2 (0.63) USP2KMT2AMEN1ALDH1A1CASP1
SCHEMBL1718751 0.90 MEN1 (0.61) USP2KMT2AMEN1ALDH1A1CASP1
SCHEMBL1718830 0.87 KDM4E (0.71) USP2KMT2AMEN1ALDH1A1CASP1
SCHEMBL4211812 0.86 USP2 (0.83) USP2KMT2AALDH1A1CASP1CASP7
SCHEMBL1717674 0.85 USP2 (0.82) USP2KMT2AALDH1A1CASP1CASP7
SCHEMBL4210654 0.85 USP2 (0.82) USP2KMT2AALDH1A1CASP1CASP7
SCHEMBL4197430 0.84 USP2 (1.00) USP2ALDH1A1CASP1CASP7GAA
SCHEMBL4213666 0.82 USP2 (0.68) USP2KMT2AMEN1ALDH1A1CASP1
SCHEMBL1718553 0.81 USP2 (0.75) USP2KMT2AMEN1ALDH1A1CASP1
SCHEMBL3278674 0.81 USP2 (0.70) USP2ALDH1A1CASP1CASP7GAA

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
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 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 (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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 USP2 4804/4885KMT2A 3544/4885MEN1 4530/4885

“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.