SCHEMBL4787705

SCHEMBL4787705

CCOC(=O)Cc1[c]nn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.38
PKM P14618 3/20 0.38
MAPK1 P28482 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL4918533 0.75 PDE4D (0.44) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL15474982 0.68 CA12 (0.53) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL443306 0.67 CA12 (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7622536 0.67 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25664507 0.66 GAA (0.57) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7618334 0.66 ALDH1A1 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8625346 0.66 HSD17B10 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL11461028 0.66 LMNA (0.44) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL11212214 0.66 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8720083 0.66 SMN1; SMN2 (0.51) CA12CA1CA2CA9SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 CA12 4684/4885CA1 2918/4885CA2 3260/4885

“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.