SCHEMBL3868209

SCHEMBL3868209

CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 4/20 0.46
PDE4B Q07343 1/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
PAX8 Q06710 1/20 0.45
ALOX12 P18054 3/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 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
SCHEMBL16252401 0.94 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL16252402 0.94 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL174531 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL22805526 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL18840973 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AHTTRAB9ALMNA
SCHEMBL24218363 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL18840958 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2HTTRAB9A
SCHEMBL17714338 0.79 PAX8 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL18840970 0.79 MAPT (0.48) ALDH1A1KMT2AHTTRAB9ALMNA
SCHEMBL4075658 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E

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-2201013-B1 NEW 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO [3,4-D] PYRIMIDINE AND PYRROLO [2,3-D] PYRIMIDINE AND USES THEREOF UNIV SIENA (IT) 2014-11-19 EP disclosed
US-7589086-B2 Substituted pyrazolo[3,4-D]pyrimidines as anti-tumor agents UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-15 US disclosed
EP-1638966-B1 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO ¬3,4-d PYRIMIDINE AND USES THEREOF UNIV SIENA (IT) 2008-03-19 EP disclosed
US-20070010510-A1 4-Substituted derivatives of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine and uses thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2007-01-11 US 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-20070010510-A1 4-Substituted derivatives of pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine and uses thereof DPYD, TYMP, TYMS ALDH1A1 1297/4885KMT2A 3147/4885MEN1 3827/4885

“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.