SCHEMBL20759707

SCHEMBL20759707

CON(C)C(=O)c1cnc(C2=CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 11/20 0.48
▸ GRM5 P41594 11/20 0.48
▸ PDK4 Q16654 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.46
▸ CYP11B2 P19099 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ TNK2 Q07912 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
SCHEMBL31701864 0.86 GRM1 (0.48) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL63673 0.85 GRM1 (0.51) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL64701 0.85 GRM1 (0.55) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL28364566 0.85 ALDH1A1 (0.36) GRM1GRM5GPR119NAMPT
SCHEMBL15756310 0.85 GRM1 (0.55) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL15001430 0.84 GRM1 (0.52) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL12740696 0.83 GRM1 (0.54) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL15756312 0.82 GRM1 (0.59) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL18009522 0.82 GRM1 (0.53) GRM1GRM5PDK4GPR119CYP11B2
SCHEMBL29138576 0.82 GRM1 (0.53) GRM1GRM5PDK4GPR119CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410648-B Chiral c-KIT inhibitor drug key intermediate and preparation method thereof 浙江海正药业股份有限公司 2024-03-29 — — CN disclosed
US-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION 2024-01-11 — — US disclosed
CN-117098760-A Compositions and methods for treating KIT and PDGFRA mediated diseases 缆图药品公司 2023-11-21 — — CN disclosed
EP-4229060-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES Blueprint Medicines Corporation (US) 2023-08-23 — — EP disclosed
CN-110891953-B Pyrrolotriazines derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2022-07-12 — — CN disclosed
WO-2022081627-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION (US) 2022-04-21 — — WO disclosed
WO-2022081627-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION (US) 2022-04-21 — — WO disclosed
WO-2019034128-A1 PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 浙江海正药业股份有限公司 2019-02-21 — — 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-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES KIT, PDGFRA, PDGFRB GRM1 1271/4885GRM5 1548/4885PDK4 2578/4885

“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.

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