SCHEMBL5001985

SCHEMBL5001985

Cc1n[nH]c2nc(NC3CCN(C)CC3)ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.50
CDK4 P11802 6/20 0.50
CCND1 P24385 6/20 0.50
CCNA2 P20248 6/20 0.50
CCNA1 P78396 6/20 0.50
CDK1 P06493 6/20 0.50
CCNB1 P14635 5/20 0.50
CCND3 P30281 4/20 0.47
CDK6 Q00534 4/20 0.47
MAPK7 Q13164 1/20 0.45
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
IKBKB O14920 1/20 0.43
CCNE1 P24864 3/20 0.42
RET P07949 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CCNB2 O95067 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
SCHEMBL5050255 0.86 CDK2 (0.44) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL24121993 0.84 MAPK14 (0.48) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL12367050 0.77 CDK2 (0.56) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL14136100 0.77 DYRK1A (0.47) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL26830431 0.74 MAPK1 (0.62) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL12965952 0.71 DYRK1A (0.49) CDK2MAPK8MAPK9MAPK10TLR8
Hydrochloric Acid SCHEMBL14877397 0.70 DYRK1A (0.48) CDK2MAPK8MAPK9MAPK10TLR8
SCHEMBL12813887 0.70 PIM1 (0.47) MAPK8MAPK9MAPK10TLR8TLR7
SCHEMBL17910154 0.70 MAPK8 (0.60) CDK2CDK4CCND1CCNA2CCNA1
SCHEMBL14887088 0.70 TLR8 (0.43) CDK2CDK4CCND1CCNA2CCNA1

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-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US claimed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP claimed
US-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors DING QINGJIE 2005-12-15 US claimed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP 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 (1 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-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors CDK1, CDK4, CDK2 CDK2 3/4885CDK4 2/4885CCND1 42/4885

“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.