SCHEMBL2913019

SCHEMBL2913019

CC(N)CNc1nc(Nc2ccc(N)c(Cl)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SYK P43405 6/20 0.35
BCDIN3D Q7Z5W3 8/20 0.35
BCL6 P41182 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL2912676 0.93 BCDIN3D (0.37) CDK5CDK5R1SYKBCDIN3DBCL6
SCHEMBL2913552 0.92 FLT3 (0.40) CDK5CDK5R1SYKBCDIN3DBCL6
SCHEMBL2911404 0.88 BCDIN3D (0.41) SYKBCDIN3DTRPV1MEN1KMT2A
SCHEMBL2912137 0.87 FLT3 (0.36) SYKBCDIN3DCCNE2CCNA2CCNE1
SCHEMBL2908568 0.87 CDK5 (0.44) CDK5CDK5R1SYKBCDIN3DCCNE2
SCHEMBL2912745 0.86 CDK1 (0.44) CDK5CDK5R1SYKBCDIN3DMEN1
SCHEMBL2912469 0.86 SYK (0.38) CDK5CDK5R1SYKCCNE2CCNA2
SCHEMBL2911201 0.85 CDK1 (0.44) CDK5CDK5R1SYKBCDIN3DMEN1
SCHEMBL2910096 0.85 CLK1 (0.40) CDK5CDK5R1SYKBCDIN3DMEN1
SCHEMBL2909973 0.84 FLT3 (0.40) CDK5CDK5R1SYKBCDIN3DBCL6

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 4 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
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 CDK5 1638/4885CDK5R1 1099/4885SYK 2080/4885

“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.