SCHEMBL3862171

SCHEMBL3862171

CC(C)c1cc(CNC(=O)OC(C)(C)C)on1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 1/20 0.44
SLC5A7 Q9GZV3 9/20 0.44
ALDH1A1 P00352 1/20 0.42
GABRA5 P31644 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8235172 0.82 EPHX2 (0.49) EPHX2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL15470638 0.82 EPHX2 (0.56) EPHX2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL30914650 0.82 KDM4A (0.42) LMNASMN1; SMN2KDM4E
SCHEMBL1810190 0.81 NR1H4 (0.45) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL4010124 0.80 NR1H4 (0.44) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2123367 0.80 EPHX2 (0.41) EPHX2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL27773505 0.80 NR1H4 (0.47) RAB9ANPC1SMN1; SMN2
SCHEMBL4015367 0.80 EPHX2 (0.52) EPHX2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL9849328 0.77 NR1H4 (0.43) EPHX2RAB9ANPC1LMNAKDM4E
SCHEMBL3856479 0.76 GFER (0.40) EPHX2RAB9ALMNASMN1; SMN2KDM4E

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
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 EPHX2 754/4885RAB9A 618/4885NPC1 376/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR EPHX2 4278/4885RAB9A 4080/4885NPC1 4365/4885

“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.