SCHEMBL3525337

SCHEMBL3525337

CSc1nccc(C(Br)C(=O)c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK14 Q16539 4/20 0.37
CSNK1D P48730 1/20 0.37
JAK3 P52333 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1E P49674 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SCN9A Q15858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL5782962 0.86 MAPK9 (0.39) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL30410204 0.80 KMT2A (0.38) ALDH1A1MAPTHPGDKMT2ASCN9A
SCHEMBL6488894 0.78 MAPT (0.39) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL14561095 0.77 CES2 (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1641451 0.74 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL27784862 0.73 ACACB (0.42) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL5771051 0.72 CES1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL9987173 0.71 LMNA (0.32) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL1554048 0.70 RAB9A (0.54) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL1554049 0.70 ALDH1A1 (0.42) ALDH1A1MAPTLMNAGAASMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7504501-B2 Antiprotozoal imidazopyridine compounds MERIAL LIMITED (US) 2009-03-17 US disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use REVESZ LASZLO (CH) 2004-04-29 US disclosed
US-6608072-B1 Inhibiting production of soluble tumor necrosis factor or reducing inflammation NOVARTIS AG (CH) 2003-08-19 US disclosed
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP disclosed
EP-1224185-A1 THIAZOLE AND IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2002-07-24 EP disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
WO-2001030778-A1 THIAZOLE AND IMIDAZO [4,5-B] PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2001-05-03 WO disclosed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 WO disclosed
WO-2000026209-A1 ANTI-INFLAMMATORY 4-PHENYL-5-PYRIMIDINYL-IMIDAZOLES NOVARTIS AG (CH) 2000-05-11 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 (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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 ALDH1A1 1071/4885MAPT 4272/4885LMNA 4050/4885
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use MAPK1, IRAK1, IRAK4 ALDH1A1 373/4885MAPT 1385/4885LMNA 3393/4885
US-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 ALDH1A1 399/4885MAPT 1214/4885LMNA 4440/4885

“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.