SCHEMBL5828183

SCHEMBL5828183

Clc1ccc(CNc2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
TMIGD3 P0DMS9 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PDE2A O00408 1/20 0.46
LRRK2 Q5S007 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDK1 P06493 2/20 0.43
STAT3 P40763 1/20 0.42
EGFR P00533 1/20 0.42
APP P05067 2/20 0.41
PDE5A O76074 1/20 0.41
CTSL P07711 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL26784724 0.89 CCNE2 (0.44) CCNE2CCNE1CDK2TMIGD3HTR2C
SCHEMBL1216376 0.89 CDK1 (0.55) CDK2TMIGD3HTR2CHTR2BCDK1
SCHEMBL20119583 0.87 TMIGD3 (0.43) CCNE2CCNE1CDK2TMIGD3HTR2C
SCHEMBL6780917 0.87 CDK1 (0.48) CCNE2CCNE1CDK2TMIGD3HTR2C
SCHEMBL16145902 0.86 LRRK2 (0.48) CCNE2CCNE1CDK2LRRK2HSD17B10
SCHEMBL16145987 0.86 APP (0.53) CCNE2CCNE1CDK2LRRK2HSD17B10
SCHEMBL16146439 0.86 STAT3 (0.43) CCNE2CCNE1CDK2LRRK2HSD17B10
SCHEMBL17442986 0.86 HSD17B10 (0.45) CCNE2CCNE1CDK2LRRK2HSD17B10
SCHEMBL3108534 0.85 CCNE2 (0.61) CCNE2CCNE1CDK2CDK1EGFR
SCHEMBL28455889 0.85 PDE2A (0.51) CCNE2CCNE1CDK2TMIGD3HTR2C

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-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP 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 CCNE2 65/4885CCNE1 51/4885CDK2 5/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CCNE2 202/4885CCNE1 96/4885CDK2 8/4885

“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.