SCHEMBL5827675

SCHEMBL5827675

CCCn1cnc2c(NCc3ccc(Cl)cc3)nc(NC(CO)C(C)C)nc21

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.75
CCNE1 P24864 1/20 0.75
CCNA2 P20248 4/20 0.64
CCNA1 P78396 4/20 0.64
CACNA1B Q00975 2/20 0.64
CDK1 P06493 7/20 0.62
CCNB1 P14635 5/20 0.62
CCNB2 O95067 4/20 0.62
CCNB3 Q8WWL7 4/20 0.62
CDK5 Q00535 6/20 0.57
CDK5R1 Q15078 6/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
CLK1 P49759 1/20 0.57
RAB9A P51151 1/20 0.57
CTSL P07711 3/20 0.54
CACNA1A O00555 1/20 0.54
CTSB P07858 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
SCHEMBL5827674 0.86 CDK2 (1.00) CDK2CCNE1CCNA2CCNA1CDK1
SCHEMBL5827773 0.82 CDK2 (0.58) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL15117752 0.81 CDK2 (0.61) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL6152650 0.80 CTSL (0.69) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL5828677 0.80 CTSL (0.58) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL5827932 0.80 CTSL (0.58) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL15118076 0.79 CDK2 (0.65) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL1354678 0.79 CDK2 (0.58) CDK2CCNE1CCNA2CCNA1CDK1
SCHEMBL5827977 0.79 CDK5 (0.54) CDK2CCNE1CCNA2CCNA1CACNA1B
SCHEMBL2170687 0.78 CDK1 (0.76) CDK2CCNE1CCNA2CCNA1CDK1

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-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US claimed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 US disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US disclosed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 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 (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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 CDK2 5/4885CCNE1 51/4885CCNA2 22/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CDK2 8/4885CCNE1 96/4885CCNA2 27/4885

“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.