SCHEMBL5532280

SCHEMBL5532280

O=C(c1ccc[nH]1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RORC P51449 7/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 2/20 0.51
PPARG P37231 2/20 0.51
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL7079685 0.89 CYP1A2 (0.58) CYP1A2CYP2D6NPSR1KMT2AMEN1
SCHEMBL5510368 0.83 CYP1A2 (0.49) CYP1A2CYP2D6KDM4ERORCKMT2A
SCHEMBL10953243 0.82 HSD17B10 (0.62) CYP1A2CYP2D6KDM4ENPSR1RORC
SCHEMBL16922169 0.80 NPSR1 (0.64) CYP1A2CYP2D6KDM4ENPSR1RORC
SCHEMBL3661954 0.80 NPSR1 (0.64) CYP1A2CYP2D6KDM4ENPSR1RORC
SCHEMBL3481659 0.79 MAPT (0.59) CYP1A2CYP2D6KDM4EKMT2AMEN1
SCHEMBL10902402 0.79 NPSR1 (0.71) CYP1A2CYP2D6KDM4ENPSR1RORC
SCHEMBL5544446 0.78 KDM4E (0.47) CYP1A2CYP2D6KDM4ENPSR1RORC
Phosphine SCHEMBL28235319 0.78 NPSR1 (0.62) CYP1A2CYP2D6KDM4ENPSR1RORC
SCHEMBL9383327 0.78 RORC (0.61) CYP1A2CYP2D6KDM4ENPSR1RORC

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-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 CYP1A2 3630/4885CYP2D6 3956/4885KDM4E 1574/4885

“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.