SCHEMBL8215286

SCHEMBL8215286

Cn1nc(Br)c(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL8205966 0.84 KMT2A (0.48) KMT2AMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL8214143 0.82 ALDH1A1 (0.54) KMT2ACA1CA2MAPK1ALDH1A1
SCHEMBL11993125 0.77 MAPT (0.44) KMT2AMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL13510721 0.76 NR1H3 (0.44) KMT2ACA1CA2MAPK1ALDH1A1
SCHEMBL13509085 0.75 RECQL (0.38) KMT2ACA1CA2MAPK1ALDH1A1
SCHEMBL28251774 0.75 ALDH1A1 (0.43) KMT2AALDH1A1HSD17B10MAPTKDM4E
SCHEMBL18134390 0.73 RECQL (0.44) KMT2AMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL15728789 0.72 RECQL (0.43) KMT2AMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL11061012 0.71 CHEK1 (0.49) KMT2ACA1CA2MAPK1ALDH1A1
SCHEMBL4767678 0.71 KDM4E (0.49) KMT2AALDH1A1HSD17B10KDM4EMEN1

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC KMT2A 2985/4885CA1 2581/4885CA2 3274/4885

“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.