SCHEMBL1663200

SCHEMBL1663200

CNC(=O)c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.54
BRD4 O60885 1/20 0.49
CSF1R P07333 1/20 0.48
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
NPC1 O15118 1/20 0.44
DOT1L Q8TEK3 1/20 0.43
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10472874 0.83 CREBBP (0.40) CREBBPBRD4CSF1RCCNCCDK8
SCHEMBL1160193 0.79 MEN1 (0.50) CSF1RKMT2AALDH1A1GLAHTT
SCHEMBL1073975 0.78 ALDH1A1 (0.47) CSF1RKMT2AALDH1A1GLAMEN1
Water SCHEMBL1662781 0.77 ALDH1A1 (0.46) CSF1RKMT2AALDH1A1GLAMEN1
SCHEMBL5049551 0.76 ALOX5 (0.60) CSF1RNPC1KMT2AMAPTMEN1
SCHEMBL18414587 0.75 ALDH1A1 (0.41) CSF1RKMT2AALDH1A1GLAHTT
Ammonia Solution, Strong SCHEMBL2237158 0.74 MAPT (0.52) NPC1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL30761569 0.74 ALDH1A1 (0.43) CSF1RKMT2AALDH1A1GLAHTT
SCHEMBL12513965 0.73 CSF1R (0.44) CSF1RNPC1KMT2AALDH1A1HTT
SCHEMBL26643376 0.73 CSF1R (0.41) CSF1RNPC1KMT2AALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CREBBP 2296/4885BRD4 325/4885CSF1R 964/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CREBBP 1621/4885BRD4 275/4885CSF1R 554/4885

“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.