SCHEMBL20356563

SCHEMBL20356563

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 3/20 0.40
▸ MRGPRX4 Q96LA9 8/20 0.39
▸ RORC P51449 3/20 0.39
▸ MDM2 Q00987 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL20356524 0.87 MDM2 (0.39) MBOAT4MRGPRX4MDM2
SCHEMBL20356569 0.86 ALDH1A1 (0.49) ALDH1A1LMNAHPGDHTTHSD17B10
SCHEMBL21526039 0.85 HTT (0.46) ALDH1A1LMNAHPGDHTTHSD17B10
SCHEMBL20356565 0.84 NPSR1 (0.40) MRGPRX4ALDH1A1LMNAHPGDHTT
SCHEMBL21525996 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNAHPGDHTTHSD17B10
SCHEMBL21526102 0.80 SMN1; SMN2 (0.47) ALDH1A1LMNAHPGDHTTHSD17B10
Tert-Butylamine SCHEMBL21526135 0.78 SMN1; SMN2 (0.44) ALDH1A1LMNA
SCHEMBL20356658 0.77 NPSR1 (0.37) MRGPRX4MDM2ALDH1A1LMNAHPGD
SCHEMBL20356564 0.77 CCR4 (0.40) —
Hydrochloric Acid SCHEMBL21526047 0.76 NPSR1 (0.37) MRGPRX4MDM2ALDH1A1LMNAHPGD

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 MBOAT4 4121/4885MRGPRX4 308/4885RORC 2097/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 MBOAT4 4121/4885MRGPRX4 308/4885RORC 2097/4885

“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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