Sugi Predict

Sugi Predict / Compounds / SCHEMBL3600716

SCHEMBL3600716

SCHEMBL3600716

CC(=O)NCCCNc1ncccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.55
▸ AURKA O14965 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ MET P08581 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ FGFR1 P11362 1/20 0.55
▸ FLT1 P17948 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ GSK3A P49840 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ CDK9 P50750 1/20 0.55
▸ CDK5 Q00535 1/20 0.55
▸ ACVR1 Q04771 1/20 0.55
▸ MST1R Q04912 1/20 0.55
▸ TYRO3 Q06418 1/20 0.55
▸ NTRK2 Q16620 1/20 0.55

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
SCHEMBL3609785 0.92 CDK1 (0.56) ABL1AURKAMAP4K4LCKMET
SCHEMBL3609726 0.88 CDK9 (0.59) ABL1AURKAMAP4K4LCKMET
SCHEMBL3608990 0.87 MAPT (0.52) ABL1CDK9CDK5CDK1MTOR
SCHEMBL3611125 0.86 MAPT (0.52) ABL1CDK9CDK5CDK1MTOR
SCHEMBL3597151 0.84 CDK4 (0.49) ABL1PDGFRBFLT3GSK3BCLK4
SCHEMBL3611442 0.83 CDK9 (0.70) ABL1AURKAMAP4K4LCKMET
SCHEMBL3607412 0.81 ABL1 (0.52) ABL1CDK9CDK5CDK1MTOR
SCHEMBL3603518 0.79 CDK1 (0.58) ABL1AURKAMAP4K4LCKMET
SCHEMBL14140367 0.79 ABL1 (0.48) ABL1AURKAFLT3MAPK8GSK3B
SCHEMBL3606676 0.78 ABL1 (0.50) ABL1AURKAMAP4K4LCKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 — — US disclosed
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 — — US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 — — EP disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 — — 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885AURKA 3792/4885MAP4K4 3894/4885
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A ABL1 933/4885AURKA 2011/4885MAP4K4 1348/4885

“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.