SCHEMBL3602605

SCHEMBL3602605

CCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.50
MAPT P10636 3/20 0.50
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
CDK4 P11802 3/20 0.50
NPC1 O15118 2/20 0.50
XBP1 P17861 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNA2 P20248 2/20 0.50
CCND1 P24385 2/20 0.50
CDK7 P50613 2/20 0.50
CCNH P51946 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNE1 P24864 1/20 0.50
MTOR P42345 1/20 0.50
CDK9 P50750 1/20 0.50

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
SCHEMBL3605169 0.90 CDK2 (0.51) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3608990 0.89 MAPT (0.52) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3611125 0.88 MAPT (0.52) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3611150 0.88 CDK2 (0.50) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3609176 0.87 CDK2 (0.49) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3608870 0.86 CAMK2D (0.57) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3608421 0.86 CDK2 (0.52) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3602892 0.85 CDK1 (0.58) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3617376 0.85 CDK2 (0.51) CDK2MAPTCDK5CDK5R1CDK4
SCHEMBL3607412 0.84 ABL1 (0.52) CDK2MAPTCDK5CDK5R1CDK4

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 3 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

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 1424/4885CDK5 2948/4885

“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.