SCHEMBL4928772

SCHEMBL4928772

CC(C)(C)n1nc(C(F)(F)F)c2c(O)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SRC P12931 12/20 0.43
ABL1 P00519 7/20 0.43
RET P07949 6/20 0.42
KDR P35968 4/20 0.42
PRKD3 O94806 4/20 0.42
PRKD2 Q9BZL6 4/20 0.42
LCK P06239 3/20 0.42
RIPK2 O43353 3/20 0.42
FYN P06241 3/20 0.42
CSNK1D P48730 3/20 0.42
EGFR P00533 3/20 0.42
YES1 P07947 2/20 0.42
LYN P07948 2/20 0.42
PDGFRA P16234 2/20 0.42
PRKACA P17612 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
SCHEMBL4923676 0.81 SRC (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3782929 0.74 SRC (0.58) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2592569 0.72 KDM4E (0.33) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL409549 0.71 SRC (0.47) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15929311 0.71 SRC (0.61) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10457496 0.69 SRC (0.42) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15471369 0.68 SRC (0.58) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL22521563 0.68 KDM4E (0.63) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13019650 0.67 SRC (0.64) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3490944 0.66 SRC (0.43) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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 (2 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-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES MAP4K5, MAP4K4, MAP4K2 KDM4E 673/4885ALDH1A1 2643/4885LMNA 3574/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 KDM4E 1558/4885ALDH1A1 4305/4885LMNA 2304/4885

“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.