SCHEMBL16610537

SCHEMBL16610537

Cc1ccc([C@@H]2CCCN2c2nc(O)c3c(n2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 1/20 0.41
MAPT P10636 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
ESR2 Q92731 1/20 0.39
KMT2A Q03164 1/20 0.38
UCHL1 P09936 1/20 0.37
MTOR P42345 2/20 0.37
C5AR1 P21730 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TP53 P04637 1/20 0.36
PREP P48147 1/20 0.36
F12 P00748 1/20 0.36
PDE10A Q9Y233 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NR1H2 P55055 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
SCHEMBL16611207 0.84 PRLHR (0.40) PRLHRMAPTGPR119KMT2AUCHL1
SCHEMBL30776218 0.75 ESR2 (0.45) MAPTGPR119ESR2MTORC5AR1
SCHEMBL12706727 0.75 ESR2 (0.45) MAPTGPR119ESR2MTORC5AR1
SCHEMBL436044 0.74 PRLHR (0.73) PRLHR
SCHEMBL2339841 0.73 MAPT (0.48) MAPTGPR119ESR2MTORC5AR1
SCHEMBL2334926 0.73 MTOR (0.42) MAPTMTOR
SCHEMBL16610752 0.72 CYP19A1 (0.40) MAPT
SCHEMBL13246138 0.72 ADORA1 (0.46) MAPTESR2MTORC5AR1F12
SCHEMBL31067085 0.72 ESR2 (0.47) MAPTESR2KMT2AMTORC5AR1
SCHEMBL3109695 0.71 MAPT (0.44) MAPTESR2MTORC5AR1F12

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-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 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 (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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 PRLHR 1484/4885MAPT 4396/4885GPR119 1360/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 PRLHR 393/4885MAPT 3472/4885GPR119 1028/4885

“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.