SCHEMBL21548932

SCHEMBL21548932

COc1ccc(CNc2nc(C(=O)OC(C)(C)C)nc(C)c2Cc2ccc(Cl)cc2Cl)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 9/20 0.40
▸ CYP3A4 P08684 9/20 0.40
▸ CYP2C19 P33261 9/20 0.40
▸ TSHR P16473 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ CYP2C9 P11712 6/20 0.40
▸ CYP2D6 P10635 6/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ USP2 O75604 4/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ALOX15 P16050 4/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39

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
SCHEMBL21526096 0.89 KDM4C (0.44) MAPTHPGDNPSR1CYP1A2CYP3A4
SCHEMBL21526097 0.84 HPGD (0.42) MAPTHPGDNPSR1ALDH1A1HSD17B10
SCHEMBL21548936 0.84 MAPT (0.48) MAPTHPGDNPSR1CYP1A2CYP3A4
SCHEMBL21548808 0.82 HPGD (0.39) MAPTHPGDNPSR1ALDH1A1HSD17B10
Tert-Butyl Formate SCHEMBL28322155 0.78 CYP1A2 (0.47) MAPTNPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL21526117 0.78 SMN1; SMN2 (0.44) MAPTHPGDNPSR1CYP1A2CYP2C19
SCHEMBL21526078 0.75 SMN1; SMN2 (0.38) HPGDNPSR1ALDH1A1HSD17B10LMNA
SCHEMBL21526062 0.74 HPGD (0.38) MAPTHPGDNPSR1ALDH1A1HSD17B10
SCHEMBL21526130 0.73 SMN1; SMN2 (0.38) MAPTHPGDNPSR1ALDH1A1HSD17B10
SCHEMBL21548811 0.73 HTT (0.46) MAPTHPGDNPSR1CYP1A2CYP3A4

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 4 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
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

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 MAPT 4880/4885HPGD 2237/4885NPSR1 778/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 MAPT 4880/4885HPGD 2237/4885NPSR1 778/4885

“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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