SCHEMBL17276083

SCHEMBL17276083

Nc1nc2c(I)cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MASP2 O00187 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AOC3 Q16853 1/20 0.48
CDK5 Q00535 7/20 0.45
CDK5R1 Q15078 7/20 0.45
PIM1 P11309 1/20 0.44
PDPK1 O15530 1/20 0.43
ULK1 O75385 1/20 0.42
CDK7 P50613 1/20 0.42
PRKCE Q02156 1/20 0.42
CAMK2G Q13555 1/20 0.42
DYRK1A Q13627 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
MAP3K19 Q56UN5 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42

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
SCHEMBL3287778 0.79 MEN1 (0.58) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL30291834 0.79 MEN1 (0.58) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL18436896 0.76 PARP1 (0.53) ALDH1A1TYMSGAA
SCHEMBL727228 0.76 MGAM (0.53) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL17276062 0.76 NUDT1 (0.51) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL14222708 0.76 NUDT1 (0.51) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL17276019 0.76 NUDT1 (0.51) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL215756 0.76 NUDT1 (0.70) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL979914 0.76 NUDT1 (0.51) NUDT1MEN1KMT2AMASP2ALDH1A1
SCHEMBL11374571 0.74 NUDT1 (0.50) NUDT1MEN1KMT2AMASP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 CN disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 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-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B NUDT1 2826/4885MEN1 345/4885KMT2A 4646/4885

“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.