Sugi Predict

Sugi Predict / Compounds / SCHEMBL2908028

SCHEMBL2908028

SCHEMBL2908028

CC(O)CNc1nc(Nc2ccc(O)c(C(=O)O)c2)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.44
▸ FLT3 P36888 4/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KDM4C Q9H3R0 2/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ AMY1A P0DUB6 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34

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
SCHEMBL2914039 0.92 CDK1 (0.44) CDK1MEN1GAAKMT2AUSP2
SCHEMBL2913273 0.90 CDK1 (0.45) CDK1FLT3MEN1GAAKMT2A
SCHEMBL2912537 0.89 CDK1 (0.45) CDK1FLT3MEN1KMT2ACDK5
SCHEMBL2910098 0.84 CDK1 (0.50) CDK1CDK5CDK5R1CDK2ALDH1A1
SCHEMBL2912981 0.83 FLT3 (0.45) CDK1FLT3CDK5CDK2CCNE1
SCHEMBL2911201 0.83 CDK1 (0.44) CDK1MEN1GAAKMT2ACDK5
SCHEMBL2910855 0.82 FLT3 (0.46) CDK1FLT3CDK5CDK2CCNE1
SCHEMBL2907917 0.81 FLT3 (0.57) CDK1FLT3MEN1KMT2ACDK2
SCHEMBL2904159 0.81 FLT3 (0.50) CDK1FLT3MEN1KMT2ACDK5
SCHEMBL2908568 0.81 CDK5 (0.44) CDK1CDK5CDK5R1CDK2ALDH1A1

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 CDK1 1081/4885FLT3 179/4885MEN1 3763/4885

“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.