SCHEMBL20356565

SCHEMBL20356565

COc1ccc(Cc2c(C)nc(C(=O)O)nc2OC)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 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
SCHEMBL20356658 0.91 NPSR1 (0.37) NPSR1ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL21526047 0.90 NPSR1 (0.37) NPSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21526039 0.89 HTT (0.46) NPSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20356569 0.87 ALDH1A1 (0.49) NPSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20356563 0.84 MBOAT4 (0.40) ALDH1A1HPGDHSD17B10LMNAHTT
SCHEMBL21525996 0.84 SMN1; SMN2 (0.48) ALDH1A1HPGDHSD17B10POLBLMNA
SCHEMBL21526102 0.83 SMN1; SMN2 (0.47) ALDH1A1HPGDHSD17B10POLBLMNA
SCHEMBL23955999 0.83 SMN1; SMN2 (0.48) NPSR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20356564 0.80 CCR4 (0.40) GAAP2RX7
Tert-Butylamine SCHEMBL21526135 0.80 SMN1; SMN2 (0.44) ALDH1A1LMNAGAARXFP1TDP1

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 NPSR1 778/4885ALDH1A1 3457/4885HPGD 2237/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 NPSR1 778/4885ALDH1A1 3457/4885HPGD 2237/4885

“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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