SCHEMBL4285480

SCHEMBL4285480

C=C(C)CCNc1nc(NCC(C)O)nc2c1ncn2C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.66
CDK1 P06493 6/20 0.66
FLT3 P36888 1/20 0.61
CDK9 P50750 3/20 0.60
CDK5 Q00535 6/20 0.54
TDP1 Q9NUW8 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
CCNE1 P24864 5/20 0.53
CDK5R1 Q15078 4/20 0.53
CCNT1 O60563 1/20 0.53
CSNK1D P48730 1/20 0.52
CLK2 P49760 1/20 0.52
DYRK1A Q13627 1/20 0.52
HIPK4 Q8NE63 1/20 0.52
SRPK1 Q96SB4 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
CCNE2 O96020 4/20 0.51
CCNB2 O95067 2/20 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
SCHEMBL7094919 0.83 CDK1 (0.60) CDK2CDK1CDK5TDP1KDM4E
SCHEMBL3082573 0.79 CDK1 (1.00) CDK2CDK1CDK9CDK5TDP1
SCHEMBL6016549 0.76 CDK2 (0.74) CDK2CDK1FLT3CDK9CDK5
SCHEMBL1354893 0.76 CDK2 (0.76) CDK2CDK1FLT3CDK9CDK5
SCHEMBL15117810 0.76 CDK2 (0.75) CDK2CDK1FLT3CDK9CDK5
SCHEMBL786759 0.75 CDK2 (0.74) CDK2CDK1FLT3CDK9CDK5
SCHEMBL3300752 0.75 CDK2 (1.00) CDK2CDK1CDK9CDK5TDP1
SCHEMBL22355616 0.75 CDK2 (0.78) CDK2CDK1FLT3CDK9CDK5
SCHEMBL786829 0.75 CDK2 (0.68) CDK2CDK1FLT3CDK9CDK5
SCHEMBL786760 0.75 CDK2 (0.74) CDK2CDK1FLT3CDK9CDK5

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-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2009-01-29 US claimed
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2003-10-02 US claimed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP claimed
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2002-04-25 US claimed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 EP claimed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK2 359/4885CDK1 501/4885FLT3 655/4885
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK2 359/4885CDK1 501/4885FLT3 655/4885
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, NUDT1 CDK2 344/4885CDK1 516/4885FLT3 981/4885

“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.