SCHEMBL7941280

SCHEMBL7941280

CC(C)(C)OC(=O)N1CC=C(c2nc(C(=O)O)co2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.49
GRM5 P41594 10/20 0.49
PDK4 Q16654 1/20 0.47
NAMPT P43490 1/20 0.46
JAK1 P23458 1/20 0.45
HTR6 P50406 1/20 0.43
ATR Q13535 2/20 0.43
TNK2 Q07912 2/20 0.42
GPR119 Q8TDV5 1/20 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
SCHEMBL12538003 0.86 JAK1 (0.44) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL4011645 0.78 GRM1 (0.51) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL12537915 0.76 GRM1 (0.53) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL31701242 0.76 GRM1 (0.55) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL64945 0.76 GRM1 (0.55) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL24880472 0.76 GRM1 (0.61) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL30849191 0.76 PDK4 (0.53) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL15756313 0.75 GRM1 (0.52) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL31612894 0.75 NAMPT (0.53) GRM1GRM5PDK4NAMPTATR
SCHEMBL1698955 0.75 NAMPT (0.53) GRM1GRM5PDK4NAMPTATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 US disclosed
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 US disclosed
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 US disclosed
EP-3157521-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2017-04-26 EP disclosed
WO-2015193846-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-12-23 WO disclosed
WO-2015193846-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-12-23 WO disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO 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-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK2 GRM1 2223/4885GRM5 2075/4885PDK4 897/4885

“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.