SCHEMBL4898595

SCHEMBL4898595

N[C@H]1CC[C@H](Nc2nc3ncnc-3c(NCc3ccc(F)cc3)[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CCNE2 O96020 3/20 0.41
CCNA2 P20248 3/20 0.41
CCNA1 P78396 3/20 0.41
MERTK Q12866 1/20 0.39
EGFR P00533 1/20 0.37
CCNT1 O60563 9/20 0.36
RPS6KB1 P23443 1/20 0.36
KIT P10721 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL4898582 1.00 CCNE1 (0.41) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL4889988 0.89 PI4KA (0.42) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL4889999 0.89 PI4KA (0.42) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL4893586 0.83 APP (0.44) CCNT1LMNAACHE
SCHEMBL7152982 0.81 MAPKAPK2 (0.38) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL7152990 0.81 MAPKAPK2 (0.38) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL7153615 0.81 PIM1 (0.38) EGFRCDK1PIM1
SCHEMBL7153609 0.81 PIM1 (0.38) EGFRCDK1PIM1
Hydrochloric Acid SCHEMBL4901100 0.81 MAPKAPK2 (0.38) CCNE1CDK2CCNE2CCNA2CCNA1
Hydrochloric Acid SCHEMBL4901111 0.81 MAPKAPK2 (0.38) CCNE1CDK2CCNE2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 US claimed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO claimed
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 US disclosed
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 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-20040063732-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP CCNE1 108/4885CDK2 10/4885CCNE2 508/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP CCNE1 86/4885CDK2 9/4885CCNE2 376/4885

“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.