SCHEMBL4484470

SCHEMBL4484470

CC(C)n1cnc2c(NCc3ccccn3)nc(F)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.64
CDK2 P24941 13/20 0.64
CDK7 P50613 12/20 0.64
CDK4 P11802 11/20 0.64
CCND1 P24385 11/20 0.64
CCNE1 P24864 11/20 0.64
CCNH P51946 11/20 0.64
CCNB1 P14635 8/20 0.64
MAPK1 P28482 4/20 0.64
CLK2 P49760 2/20 0.57
DYRK1A Q13627 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
CSNK1E P49674 1/20 0.57
CLK1 P49759 1/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CDK5 Q00535 2/20 0.56
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL3298389 0.85 CDK2 (0.65) CDK1CDK2CDK7CDK4CCND1
SCHEMBL3851604 0.85 TDP1 (0.78) CDK1CDK2CCNE1CCNB1CLK2
SCHEMBL3299528 0.82 CDK2 (0.66) CDK1CDK2CDK7CDK4CCND1
SCHEMBL3298667 0.81 CDK1 (0.63) CDK1CDK2CDK7CDK4CCND1
SCHEMBL4478416 0.80 CDK2 (0.74) CDK1CDK2CCNE1DYRK1AKDM4E
SCHEMBL3299543 0.80 CDK2 (0.70) CDK1CDK2CDK7CDK4CCND1
SCHEMBL3876180 0.79 CDK2 (1.00) CDK1CDK2CDK7CDK4CCND1
SCHEMBL1380075 0.79 CDK2 (1.00) CDK1CDK2CDK7CDK4CCND1
SCHEMBL1380899 0.79 CDK2 (1.00) CDK1CDK2CDK7CDK4CCND1
SCHEMBL1380073 0.79 CDK2 (1.00) CDK1CDK2CDK7CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-7544689-B2 Purine derivatives CYCLACEL LIMITED (GB) 2009-06-09 US disclosed
US-20060183760-A1 New purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-08-17 US disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP disclosed
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 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 (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-20060183760-A1 New purine derivatives C5, CYC1, CCNH CDK1 40/4885CDK2 261/4885CDK7 997/4885
US-20050256142-A1 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CDK1, CDK2, CCND1 CDK1 1/4885CDK2 2/4885CDK7 36/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH CDK1 22/4885CDK2 214/4885CDK7 860/4885

“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.