SCHEMBL2250758

SCHEMBL2250758

O=[N+]([O-])c1cnc2cc(Cl)ccc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PIM3 Q86V86 3/20 0.43
ALDH1A1 P00352 2/20 0.41
VCAM1 P19320 1/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
PIM1 P11309 1/20 0.40
NR4A2 P43354 1/20 0.40
SOS2 Q07890 1/20 0.40
PDE7A Q13946 4/20 0.40
POLB P06746 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 1/20 0.39
AHR P35869 1/20 0.39
CHUK O15111 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL29742161 0.90 TSHR (0.47) TSHRMAPK1PIM3VCAM1MAPT
SCHEMBL405386 0.90 TSHR (0.47) TSHRMAPK1PIM3VCAM1MAPT
SCHEMBL20494911 0.84 TSHR (0.45) TSHRMAPK1PIM3ALDH1A1VCAM1
SCHEMBL30074833 0.84 PTGES (0.49) MAPT
SCHEMBL28058590 0.84 TDP1 (0.45) MAPT
SCHEMBL202476 0.84 PTGES (0.49) MAPT
SCHEMBL2249257 0.84 TSHR (0.45) TSHRMAPK1PIM3ALDH1A1VCAM1
SCHEMBL25231084 0.81 PIN1 (0.49) MAPK1PIM3ALDH1A1MAPTGFER
SCHEMBL3865918 0.81 PIN1 (0.48) ALDH1A1MAPT
SCHEMBL202663 0.80 POLB (0.51) TSHRMAPK1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998972-B2 1H-imidazo[4,5-c]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2011-08-16 US disclosed
US-7998972-B2 1H-imidazo[4,5-c]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2011-08-16 US disclosed
EP-1509521-B1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-08-20 EP disclosed
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
US-20050245562-A1 1h-imidazo[4,5-c]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2005-11-03 US disclosed
EP-1509521-A2 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-02 EP disclosed
WO-2003097641-A2 1H-IMIDAZO[4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-11-27 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-20050245562-A1 1h-imidazo[4,5-c]quinoline derivatives in the treatment of protein kinase dependent diseases ABL1, PRKCA, PRKCQ TSHR 3046/4885MAPK1 251/4885PIM3 373/4885

“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.