Sugi Predict

Sugi Predict / Compounds / SCHEMBL3605169

SCHEMBL3605169

SCHEMBL3605169

CC(=O)NCCCNc1nccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ CDK4 P11802 3/20 0.51
▸ CDK5 Q00535 3/20 0.51
▸ CDK5R1 Q15078 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ XBP1 P17861 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ CCNA2 P20248 2/20 0.51
▸ CCND1 P24385 2/20 0.51
▸ CDK7 P50613 2/20 0.51
▸ CCNH P51946 2/20 0.51
▸ CCNT1 O60563 1/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ CDK9 P50750 1/20 0.51

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
SCHEMBL14140367 0.91 ABL1 (0.48) CDK2CDK4CDK1CCNB1SIRT5
SCHEMBL3606836 0.91 SYK (0.47) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3602605 0.90 CDK2 (0.50) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3608990 0.90 MAPT (0.52) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3611125 0.89 MAPT (0.52) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3611150 0.89 CDK2 (0.50) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3603519 0.89 SYK (0.49) CDK2CDK4CDK1CCNB1CDK7
SCHEMBL3609046 0.88 CDK1 (0.65) CDK2MAPTCDK4CDK5CDK5R1
SCHEMBL3607290 0.88 ABL1 (0.43) CDK2CDK1MTORSMG1SIRT5
SCHEMBL3596068 0.88 CDK2 (0.49) CDK2MAPTCDK4CDK5CDK5R1

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
EP-2094682-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS Novartis AG (CH) 2009-09-02 — — 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
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 (1 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 CDK2 3078/4885MAPT 1424/4885CDK4 2775/4885

“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.