SCHEMBL2910096

SCHEMBL2910096

CC(N)CNc1nc(Nc2cc(N)cc(Cl)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 12/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
CCNB2 O95067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CLK2 P49760 11/20 0.37
CLK4 Q9HAZ1 11/20 0.37

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
SCHEMBL2904941 0.91 CLK1 (0.41) CLK1CDK1CCNB1KDM4EMAPK1
SCHEMBL2912745 0.88 CDK1 (0.44) CLK1CDK1CCNB1KDM4EMAPK1
SCHEMBL2911404 0.87 BCDIN3D (0.41) CDK1MEN1ALDH1A1KMT2ASYK
SCHEMBL2912469 0.85 SYK (0.38) CDK1CCNB1KDM4EMAPK1SYK
SCHEMBL2912137 0.85 FLT3 (0.36) MAPK1SYKBCDIN3DFLT3
SCHEMBL2912676 0.85 BCDIN3D (0.37) CDK1CCNB1SYKEIF2AK2GSK3B
SCHEMBL2913019 0.85 CDK5 (0.35) MEN1KMT2ASYKBCDIN3DCDK5
SCHEMBL2910335 0.83 CCNE2 (0.41) TP53MAPTSYKMERTKBCDIN3D
SCHEMBL2938018 0.81 CDK1 (0.47) CLK1CDK1CCNB1KDM4EMAPK1
SCHEMBL2912867 0.81 FLT3 (0.46) CDK1KDM4EMAPK1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
WO-2003082872-A1 NOVEL PYRAZOLO[4,3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS FOR THERAPY USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC) (CZ) 2003-10-09 WO disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 CLK1 4615/4885CDK1 1081/4885CCNB1 682/4885

“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.