Sugi Predict

Sugi Predict / Compounds / SCHEMBL2913437

SCHEMBL2913437

SCHEMBL2913437

CCC(CO)Nc1nc(Nc2ccccc2N)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.47
▸ CDK5 Q00535 14/20 0.47
▸ CCNE1 P24864 6/20 0.47
▸ CCNE2 O96020 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CDK1 P06493 6/20 0.46
▸ DYRK1A Q13627 11/20 0.44
▸ CDK5R1 Q15078 11/20 0.44
▸ CCNA2 P20248 10/20 0.44
▸ CCNA1 P78396 10/20 0.44
▸ CDK7 P50613 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ CSNK1D P48730 2/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ CSNK1G2 P78368 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CSNK1G1 Q9HCP0 2/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNH P51946 2/20 0.42
▸ CCNK O75909 2/20 0.42

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
SCHEMBL2904646 0.87 KCNH3 (0.48) CDK2CDK5CCNE1CCNE2CDK1
SCHEMBL2905816 0.86 CDK2 (0.47) CDK2CDK5CCNE1CCNE2AURKA
SCHEMBL2910257 0.85 CDK2 (0.63) CDK2CDK5CCNE1CCNE2AURKA
SCHEMBL2911734 0.84 CDK5 (0.49) CDK2CDK5CCNE1CCNE2AURKA
SCHEMBL2911349 0.82 CDK5 (0.46) CDK2CDK5CCNE1CCNE2AURKA
SCHEMBL2908150 0.82 CDK5 (0.46) CDK2CDK5CCNE1CCNE2AURKA
SCHEMBL2911514 0.82 CDK2 (0.45) CDK2CDK5CCNE1CDK1CDK5R1
SCHEMBL2910560 0.81 CDK5 (0.47) CDK2CDK5CCNE1CDK1DYRK1A
SCHEMBL2912706 0.81 CDK5 (0.46) CDK2CDK5CCNE1CDK1DYRK1A
SCHEMBL2913463 0.81 CDK2 (0.61) CDK2CDK5CCNE1CCNE2CDK1

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 CDK2 685/4885CDK5 1638/4885CCNE1 523/4885

“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.