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SCHEMBL3515425

SCHEMBL3515425

CCn1c(=O)n(-c2cn(C)nc2C)c2c3cc(Br)ccc3ncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.36
▸ PIK3CD O00329 7/20 0.35
▸ MTOR P42345 4/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32

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
SCHEMBL2066048 0.88 MTOR (0.46) CASP3PIK3CDMTORPIK3CAPIK3CB
SCHEMBL2066867 0.82 MTOR (0.43) CASP3PIK3CDMTORPIK3CAPIK3CB
SCHEMBL3516728 0.82 PIK3CD (0.41) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL2034354 0.80 PTGES (0.41) CASP3PIK3CDMTORPIK3CBPIK3CG
SCHEMBL3516339 0.78 MTOR (0.47) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3513950 0.77 MTOR (0.42) CASP3PIK3CDMTORPIK3CAPIK3CB
SCHEMBL3516118 0.76 MTOR (0.43) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3514843 0.76 CASP3 (0.40) CASP3MTORPIK3CAATMNPSR1
SCHEMBL2067631 0.76 PIK3CA (0.43) CASP3PIK3CDMTORPIK3CAPIK3CB
SCHEMBL3514836 0.75 MTOR (0.41) CASP3PIK3CDMTORPIK3CAPIK3CB

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-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CASP3 2748/4885PIK3CD 83/4885MTOR 374/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CASP3 2748/4885PIK3CD 83/4885MTOR 374/4885

“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.