SCHEMBL18685698

SCHEMBL18685698

Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
GPR119 Q8TDV5 9/20 0.46
HTT P42858 1/20 0.45
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL18403342 0.87 SLC34A1 (0.44) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL4235039 0.86 MAPT (0.51) KDM4EMAPTTHRBGPR119HTT
SCHEMBL15890099 0.86 THRB (0.51) KDM4EMAPTTHRBGPR119HTT
SCHEMBL17796475 0.86 THRB (0.51) KDM4EMAPTTHRBGPR119HTT
SCHEMBL19937645 0.84 MAPT (0.49) KDM4EMAPTTHRBGPR119HTT
SCHEMBL5453963 0.84 KDM4E (0.49) KDM4EMAPTTHRBGPR119HTT
SCHEMBL18403235 0.83 KDM4E (0.48) KDM4EMAPTTHRBGPR119HTT
SCHEMBL18685612 0.81 MAP3K12 (0.53) KDM4E
SCHEMBL16827791 0.79 MEN1 (0.60) MAPTTHRBHPGDKMT2A
SCHEMBL15824692 0.79 HTT (0.51) KDM4EMAPTTHRBGPR119HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028942-B2 3-substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2017-03-30 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-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 KDM4E 732/4885MAPT 494/4885THRB 3281/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 KDM4E 732/4885MAPT 494/4885THRB 3281/4885

“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.