SCHEMBL20356524

SCHEMBL20356524

COc1nc(C(=O)O)nc(C(C)C)c1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 9/20 0.39
▸ MRGPRX4 Q96LA9 6/20 0.38
▸ FFAR1 O14842 1/20 0.35
▸ MBOAT4 Q96T53 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20356563 0.87 MBOAT4 (0.40) MDM2MRGPRX4MBOAT4
SCHEMBL21526112 0.86 SMN1; SMN2 (0.41) MDM2SMN1; SMN2
SCHEMBL20356574 0.82 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL21526098 0.73 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL20356569 0.72 ALDH1A1 (0.49) —
SCHEMBL21526039 0.72 HTT (0.46) SMN1; SMN2
SCHEMBL20356757 0.71 ALDH1A1 (0.40) —
SCHEMBL20356565 0.71 NPSR1 (0.40) MRGPRX4
Hydrochloric Acid SCHEMBL21526058 0.71 ALDH1A1 (0.40) —
SCHEMBL21526051 0.70 SMN1; SMN2 (0.39) MDM2SMN1; SMN2

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 — — US disclosed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 — — US disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
WO-2018124000-A1 PYRIMIDINE DERIVATIVE 第一三共株式会社 2018-07-05 — — 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 (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-11034659-B2 Pyrimidine derivative GPR39, CFTR, TMEM109 MDM2 4223/4885MRGPRX4 308/4885FFAR1 208/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 MDM2 4223/4885MRGPRX4 308/4885FFAR1 208/4885

“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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