SCHEMBL17310074

SCHEMBL17310074

COc1ccc(Br)nc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.53
GRM5 P41594 11/20 0.53
PDK4 Q16654 1/20 0.47
PDE10A Q9Y233 1/20 0.45
TNK2 Q07912 2/20 0.45
NAMPT P43490 1/20 0.45
JAK1 P23458 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
HTR6 P50406 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
SCHEMBL25119907 0.86 GRM1 (0.54) GRM1GRM5PDK4PDE10ATNK2
SCHEMBL31180111 0.83 PDK4 (0.53) GRM1GRM5PDK4PDE10ANAMPT
SCHEMBL31180211 0.83 PDK4 (0.53) GRM1GRM5PDK4PDE10ANAMPT
SCHEMBL15941818 0.81 GRM5 (0.59) GRM1GRM5PDK4PDE10ATNK2
SCHEMBL15942450 0.80 GRM1 (0.50) GRM1GRM5PDK4PDE10ATNK2
SCHEMBL1585582 0.79 TNK2 (0.55) GRM1GRM5PDK4PDE10ATNK2
SCHEMBL5337565 0.79 GRM1 (0.58) GRM1GRM5PDK4PDE10ATNK2
SCHEMBL19297155 0.78 PDK4 (0.60) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL15933052 0.77 GRM1 (0.55) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL23703478 0.77 GRM1 (0.57) GRM1GRM5PDK4NAMPTJAK1

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
EP-2952510-B1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2018-12-26 EP disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 EP disclosed
CN-104968654-A Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2015-10-07 CN 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA GRM1 1569/4885GRM5 1470/4885PDK4 432/4885

“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.