SCHEMBL3608464

SCHEMBL3608464

Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
MAPT P10636 2/20 0.53
GSK3A P49840 1/20 0.53
CDK1 P06493 3/20 0.52
CDK2 P24941 3/20 0.52
SMG1 Q96Q15 3/20 0.52
CAMK2D Q13557 2/20 0.52
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.48
CDK4 P11802 2/20 0.48
NPC1 O15118 1/20 0.48
CCNT1 O60563 1/20 0.48
CCNB1 P14635 1/20 0.48
XBP1 P17861 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
MAPK1 P28482 1/20 0.48
MTOR P42345 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3608282 0.90 MAPT (0.55) GSK3BMAPTGSK3ACDK1CDK2
SCHEMBL3607608 0.84 MAPT (0.47) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL3609046 0.83 CDK1 (0.65) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL3602192 0.83 CAMK2D (0.58) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL3596703 0.82 ALDH1A1 (0.47) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL13698056 0.82 KDR (0.59) GSK3BMAPTGSK3ACDK1CDK2
SCHEMBL3597064 0.82 PIK3CA (0.52) GSK3BMAPTCDK1CDK2SMG1
SCHEMBL3609491 0.81 CAMK2D (0.53) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL3610719 0.79 CAMK2D (0.54) MAPTCDK1CDK2SMG1CAMK2D
SCHEMBL3605169 0.79 CDK2 (0.51) MAPTCDK1CDK2SMG1CAMK2D

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 GSK3B 3423/4885MAPT 1424/4885GSK3A 3293/4885

“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.