SCHEMBL1707683

SCHEMBL1707683

Cc1cc(Nc2cc(N)c([N+](=O)[O-])cn2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
AGO2 Q9UKV8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 5/20 0.37
ABCC1 P33527 3/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.35
ABCB1 P08183 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL23025006 0.74 POLB (0.38) PDE4AAGO2MAPTRAB9APOLB
SCHEMBL30893421 0.73 TDP1 (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL8781226 0.73 TDP1 (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL1706755 0.72 EGFR (0.48) MAPTLMNARAB9AABCG2POLB
SCHEMBL5252473 0.69 TDP1 (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL3744012 0.69 CYP1A2 (0.40) MAPTALDH1A1LMNATDP1POLB
SCHEMBL3065845 0.68 RAB9A (0.54) MAPTALDH1A1LMNARAB9AABCG2
SCHEMBL16654980 0.67 MAPT (0.60) MAPTALDH1A1RAB9ATDP1ABCG2
SCHEMBL11797396 0.65 TDP1 (0.47) MAPTALDH1A1LMNATDP1POLB
SCHEMBL858456 0.64 TDP1 (0.46) MAPTALDH1A1LMNATDP1POLB

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PDE4A 1443/4885AGO2 2205/4885MAPT 2745/4885

“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.