SCHEMBL4484465

SCHEMBL4484465

CC(C)n1cnc2c(C(N)c3ccccn3)nc(F)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.43
CCNA2 P20248 6/20 0.43
CCNA1 P78396 6/20 0.43
CDK5 Q00535 6/20 0.43
DYRK1A Q13627 5/20 0.43
CDK5R1 Q15078 5/20 0.43
CDK1 P06493 11/20 0.40
CCNE1 P24864 10/20 0.40
CCNB1 P14635 8/20 0.40
CCNE2 O96020 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK4 P11802 7/20 0.36
CCND1 P24385 7/20 0.36
CDK7 P50613 7/20 0.36
CCNH P51946 7/20 0.36
MAPK1 P28482 4/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL3298664 0.81 CDK2 (0.44) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL3299538 0.79 CDK2 (0.45) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL7525328 0.76 CDK1 (0.43) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL4478416 0.72 CDK2 (0.74) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL14039518 0.70 CDK1 (0.71) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL4483788 0.70 MAPT (0.36) MAPT
SCHEMBL4484470 0.70 CDK1 (0.64) CDK2CDK5DYRK1ACDK1CCNE1
SCHEMBL20656164 0.68 CDK2 (0.49) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL1293109 0.68 CDK2 (0.49) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL31707890 0.68 CDK2 (0.49) CDK2CCNA2CCNA1CDK5DYRK1A

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-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-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 CDK2 261/4885CCNA2 63/4885CCNA1 81/4885
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 CDK2 2/4885CCNA2 12/4885CCNA1 17/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH CDK2 214/4885CCNA2 43/4885CCNA1 28/4885

“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.