SCHEMBL4772189

SCHEMBL4772189

C(=Cn1ncc2cncnc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.51
SRC P12931 7/20 0.50
FYN P06241 2/20 0.39
RET P07949 1/20 0.39
SGK1 O00141 1/20 0.38
EGFR P00533 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL4772183 1.00 ABL1 (0.51) ABL1SRCFYNRETSGK1
SCHEMBL3859724 0.74 ABL1 (0.62) ABL1SRCFYNSGK1EGFR
SCHEMBL3859729 0.74 ABL1 (0.62) ABL1SRCFYNSGK1EGFR
SCHEMBL28938204 0.72 RECQL (0.42) ABL1SRCFYNSGK1KDM4E
SCHEMBL30095774 0.69 KDM4E (0.62) EGFRKDM4EMEN1ALDH1A1HPGD
SCHEMBL3761998 0.69 KDM4E (0.62) EGFRKDM4EMEN1ALDH1A1HPGD
SCHEMBL6880333 0.69 EGFR (0.38) EGFRKDM4EMEN1ALDH1A1HPGD
SCHEMBL10507649 0.68 NPC1 (0.44) ABL1SRCKDM4EMEN1ALDH1A1
SCHEMBL10511571 0.68 NPC1 (0.44) ABL1SRCKDM4EMEN1ALDH1A1
SCHEMBL6922298 0.67 SRC (1.00) ABL1SRCKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638966-B1 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO ¬3,4-d PYRIMIDINE AND USES THEREOF UNIV SIENA (IT) 2008-03-19 EP claimed
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 claimed

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 ABL1 2080/4885SRC 2106/4885FYN 1299/4885

“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.