SCHEMBL3046112

SCHEMBL3046112

O=[N+]([O-])N(c1ccccc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ TP53 P04637 3/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36

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
SCHEMBL9505767 0.83 ALDH1A1 (0.41) ALDH1A1TP53L3MBTL1MAPK1HTT
SCHEMBL10490987 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1HTTTDP1
SCHEMBL564828 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1HTTTDP1
Hydrochloric Acid SCHEMBL28757835 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1HTTTDP1
SCHEMBL28228778 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1HTTTDP1
Fluoride SCHEMBL27617831 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1HTTTDP1
SCHEMBL11020294 0.75 ALDH1A1 (0.54) ALDH1A1TP53L3MBTL1MAPK1HTT
SCHEMBL9232061 0.74 TP53 (0.45) ALDH1A1TP53L3MBTL1MAPK1HTT
Hydrochloric Acid SCHEMBL9348119 0.73 ALDH1A1 (0.53) ALDH1A1TP53L3MBTL1MAPK1HTT
SCHEMBL2240653 0.72 ALDH1A1 (0.40) ALDH1A1TP53L3MBTL1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767673-B2 N-substituted imidazopyridine c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-08-03 — — US disclosed
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 — — EP disclosed
US-20090062275-A1 N-Substituted Imidazopyridine c-Kit Inhibitors OSI PHARMACEUTICALS, INC. 2009-03-05 — — US disclosed
US-7442709-B2 N3-substituted imidazopyridine c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-20080221153-A9 N3-SUBSTITUTED IMIDAZOPYRIDINE C-KIT INHIBITORS CASTELHANO ARLINDO L 2008-09-11 — — US disclosed
EP-1658289-A2 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-05-24 — — EP disclosed
US-20060035921-A1 N3-substituted imidazopyridine c-Kit inhibitors CASTELHANO ARLINDO L 2006-02-16 — — US disclosed
WO-2005021544-A2 N3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 — — WO disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 — — US disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 — — EP disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 — — US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 — — US disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 — — EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 — — WO disclosed
US-4698430-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1987-10-06 — — US disclosed
US-4558132-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 — — 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 (3 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-20090062275-A1 N-Substituted Imidazopyridine c-Kit Inhibitors KIT, ABL1, CHUK ALDH1A1 379/4885TP53 64/4885L3MBTL1 4526/4885
US-20080221153-A9 N3-SUBSTITUTED IMIDAZOPYRIDINE C-KIT INHIBITORS KIT, ABL1, CHUK ALDH1A1 520/4885TP53 56/4885L3MBTL1 3291/4885
US-20060035921-A1 N3-substituted imidazopyridine c-Kit inhibitors KIT, ABL1, CHUK ALDH1A1 520/4885TP53 56/4885L3MBTL1 3291/4885

“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.

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