SCHEMBL2021091

SCHEMBL2021091

CCOC(=O)c1nc2ccc(F)cc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GLP1R P43220 1/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.42
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41

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
SCHEMBL31345627 1.00 TSHR (0.53) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL2021734 1.00 TSHR (0.53) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL31345645 1.00 TSHR (0.53) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL2019925 0.86 TSHR (0.63) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL2025570 0.86 TSHR (0.63) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL17601553 0.86 GLP1R (0.51) GLP1RMAPTALDH1A1NPC1RAB9A
SCHEMBL12574451 0.86 GLP1R (0.51) GLP1RMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7935665 0.86 GLP1R (0.51) GLP1RMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL30682026 0.86 GLP1R (0.53) TSHRGLP1RMAPTALDH1A1NPC1
SCHEMBL26617497 0.86 GLP1R (0.53) TSHRGLP1RMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A TSHR 3644/4885GLP1R 739/4885MAPT 3672/4885

“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.