SCHEMBL3988102

SCHEMBL3988102

O=c1cc(CCl)nc(-c2ccccn2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
AGTR1 P30556 2/20 0.64
MEN1 O00255 1/20 0.64
HSP90AA1 P07900 1/20 0.64
OPRK1 P41145 1/20 0.64
HIF1A Q16665 3/20 0.63
NPC1 O15118 4/20 0.48
LMNA P02545 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
BTK Q06187 1/20 0.46
CBFB Q13951 6/20 0.46
METAP2 P50579 4/20 0.46
METAP1 P53582 4/20 0.46
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL2723725 0.83 KMT2A (0.57) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL13611987 0.80 LMNA (0.54) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL10490276 0.78 POLB (0.66) KMT2AHIF1ARAB9AALDH1A1L3MBTL1
SCHEMBL18036045 0.73 NPC1 (0.51) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL6241119 0.73 HPGD (0.64) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL5396525 0.73 GSK3B (0.71) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL13726218 0.72 KMT2A (0.47) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL2239607 0.71 CYP2A6 (0.59) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL2721741 0.71 CBFB (0.52) KMT2AAGTR1MEN1HSP90AA1OPRK1
SCHEMBL1194066 0.71 BTK (0.58) KMT2AAGTR1MEN1HSP90AA1OPRK1

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-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 KMT2A 2024/4885AGTR1 444/4885MEN1 4559/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KMT2A 2024/4885AGTR1 444/4885MEN1 4559/4885

“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.