Sugi Predict

Sugi Predict / Compounds / SCHEMBL3514955

SCHEMBL3514955

SCHEMBL3514955

Cc1nn(CC(=O)N(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.39
▸ MTOR P42345 5/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ ATM Q13315 11/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL2067720 0.92 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3514836 0.90 MTOR (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3515169 0.88 MTOR (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3515111 0.88 CASP3 (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3514953 0.87 ATM (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3515430 0.87 MTOR (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3513190 0.86 KMT2A (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3513950 0.86 MTOR (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2066867 0.86 MTOR (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3513924 0.84 ATM (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 PIK3CA 125/4885MTOR 374/4885PIK3CD 83/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PIK3CA 125/4885MTOR 374/4885PIK3CD 83/4885

“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.