Sugi Predict

Sugi Predict / Compounds / SCHEMBL3513841

SCHEMBL3513841

SCHEMBL3513841

C=CCn1c(=O)n(-c2cn(C)nc2C)c2c3cc(-c4cncc(N)c4)ccc3ncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.39
▸ MTOR P42345 11/20 0.39
▸ PIK3CA P42336 8/20 0.39
▸ PIK3CB P42338 7/20 0.39
▸ PIK3CG P48736 7/20 0.39
▸ ATM Q13315 6/20 0.35
▸ ATR Q13535 4/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ MET P08581 2/20 0.35
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ LIMK1 P53667 1/20 0.35

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
SCHEMBL3516728 0.90 PIK3CD (0.41) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3514826 0.86 MTOR (0.52) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3515447 0.78 MTOR (0.49) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3513236 0.78 MTOR (0.56) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL2067646 0.77 MTOR (0.49) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3514178 0.77 PIK3CA (0.49) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3516742 0.75 MTOR (0.55) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL3516999 0.75 MTOR (0.49) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL2068943 0.75 MTOR (0.50) PIK3CDMTORPIK3CAPIK3CBPIK3CG
SCHEMBL2067847 0.75 MTOR (0.59) PIK3CDMTORPIK3CAPIK3CBPIK3CG

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 claimed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US claimed
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 PIK3CD 83/4885MTOR 374/4885PIK3CA 125/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PIK3CD 83/4885MTOR 374/4885PIK3CA 125/4885

“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.