SCHEMBL3744012

SCHEMBL3744012

[CH2]CNc1cc(N)c([N+](=O)[O-])cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 1/20 0.38
CDK2 P24941 1/20 0.38
LMNA P02545 2/20 0.38
AHR P35869 1/20 0.35
PRKCQ Q04759 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 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
SCHEMBL7028651 0.81 MAPT (0.43) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL5252473 0.72 TDP1 (0.48) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL11653413 0.72 MAPT (0.40) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL11797396 0.71 TDP1 (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL4400500 0.70 GSK3B (0.39) L3MBTL1TDP1TSHRMAPTALDH1A1
SCHEMBL858456 0.69 TDP1 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL8781226 0.69 TDP1 (0.48) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL31571462 0.69 GPR35 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL563628 0.69 TDP1 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1
SCHEMBL30893421 0.69 TDP1 (0.48) CYP1A2CYP2C9CYP2C19L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
EP-1692085-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA Chiron Corporation (US) 2006-08-23 EP disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 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 (5 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 CYP1A2 4708/4885CYP2C9 4772/4885CYP2C19 4843/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 CYP1A2 4862/4885CYP2C9 4745/4885CYP2C19 4831/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CYP1A2 207/4885CYP2C9 318/4885CYP2C19 219/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CYP1A2 1945/4885CYP2C9 1858/4885CYP2C19 1966/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CYP1A2 198/4885CYP2C9 329/4885CYP2C19 235/4885

“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.