Sugi Predict

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SCHEMBL2068583

SCHEMBL2068583

Cc1nn(CC(=O)O)cc1-n1c(=O)[nH]c2cnc3ccc(Br)cc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.36
▸ BRD2 P25440 2/20 0.36
▸ BRD3 Q15059 2/20 0.36
▸ CASP3 P42574 3/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ AKR1B10 O60218 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ FGFR1 P11362 1/20 0.34

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
SCHEMBL3516333 0.90 CASP3 (0.43) BRD4BRD2BRD3CASP3CYP3A4
SCHEMBL3513692 0.86 IRAK4 (0.38) MAPTPOLB
SCHEMBL3514843 0.83 CASP3 (0.40) BRD4BRD2BRD3CASP3EGLN1
SCHEMBL3514836 0.81 MTOR (0.41) CASP3AKR1B10ATMPOLBTHRB
SCHEMBL18998180 0.73 GABRA1 (0.54) BRD4BRD2BRD3CASP3PIM1
SCHEMBL17272559 0.73 AURKA (0.42) BRD4BRD2BRD3CASP3CYP3A4
SCHEMBL31439385 0.72 PIK3CA (0.45) PIM1FLT3GABRA1GABRG2GABRB3
SCHEMBL3515111 0.72 CASP3 (0.45) CASP3ATMMCL1
SCHEMBL3514955 0.72 PIK3CA (0.39) CASP3CDK8ATMRXFP1
SCHEMBL2034353 0.72 PTGES (0.44) BRD4BRD2BRD3CYP3A4CYP2C9

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 9 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
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 — — EP 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
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 — — 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 (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 BRD4 277/4885BRD2 757/4885BRD3 334/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 BRD4 277/4885BRD2 757/4885BRD3 334/4885

“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.