SCHEMBL1718847

SCHEMBL1718847

O=C(NCc1ccccc1)c1cc2ncc(Br)cn2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.79
KDM4E B2RXH2 7/20 0.79
HSD17B10 Q99714 5/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
APOBEC3A P31941 3/20 0.79
RAB9A P51151 3/20 0.79
TDP1 Q9NUW8 9/20 0.67
ALDH1A1 P00352 6/20 0.67
ESR2 Q92731 3/20 0.67
APOBEC3G Q9HC16 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MAPK1 P28482 2/20 0.67
RECQL P46063 1/20 0.63
NR4A1 P22736 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53

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
SCHEMBL3817220 0.81 KDM4E (0.57) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL12266355 0.78 MMP13 (0.59) KDM4ESMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL1718574 0.77 RECQL (0.74) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL1719219 0.76 POLB (0.65) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL1011158 0.76 TDP1 (0.63) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL13856607 0.76 POLB (1.00) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL1718100 0.74 MEN1 (0.67) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A
SCHEMBL31026201 0.72 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1L3MBTL1KMT2AHPGD
SCHEMBL14648375 0.71 MMP13 (0.66) KDM4ESMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL1061821 0.71 RECQL (0.67) POLBKDM4EHSD17B10SMN1; SMN2APOBEC3A

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 7 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
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO 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 POLB 3025/4885KDM4E 2962/4885HSD17B10 3989/4885

“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.