SCHEMBL375202

SCHEMBL375202

C[C@H](Nc1cc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 1.00
RAF1 P04049 1/20 1.00
ERBB2 P04626 1/20 1.00
SRC P12931 1/20 1.00
KDR P35968 1/20 1.00
MAPK8 P45983 1/20 1.00
MAPK9 P45984 1/20 1.00
MAPK14 Q16539 12/20 0.59
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
CSNK1D P48730 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
SCHEMBL6214573 1.00 EGFR (1.00) EGFRRAF1ERBB2SRCKDR
SCHEMBL6216536 0.90 EGFR (0.82) EGFRRAF1ERBB2SRCKDR
SCHEMBL6216537 0.90 EGFR (0.82) EGFRRAF1ERBB2SRCKDR
SCHEMBL6219548 0.87 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL6219546 0.87 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL6488022 0.86 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL6488017 0.86 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL5816218 0.79 MAPK9 (0.65) EGFRRAF1ERBB2SRCKDR
SCHEMBL5818972 0.78 EGFR (0.64) EGFRRAF1ERBB2SRCKDR
SCHEMBL5814702 0.76 MAPK14 (0.68) EGFRRAF1ERBB2SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed
US-7713998-B2 Nitrogenous heterocyclic compound and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1810972-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 EP disclosed
EP-1224185-B1 THIAZOLE AND IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2005-11-30 EP disclosed
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 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

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-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof MAPK1, MAPK13, MAPK6 EGFR 2048/4885RAF1 264/4885ERBB2 1597/4885
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use MAPK1, IRAK1, IRAK4 EGFR 1067/4885RAF1 115/4885ERBB2 732/4885

“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.