SCHEMBL20356511

SCHEMBL20356511

CCOc1nc(C(=O)O)nc(C)c1Cc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ P2RX7 Q99572 10/20 0.42
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PTGER1 P34995 2/20 0.38

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
SCHEMBL20356569 0.89 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDHTTLMNA
SCHEMBL20356578 0.89 SMN1; SMN2 (0.44) HTTP2RX7MAPTKDM4ECYP1A2
SCHEMBL20356656 0.88 P2RX7 (0.40) ALDH1A1HSD17B10HPGDHTTLMNA
Hydrochloric Acid SCHEMBL21526059 0.87 P2RX7 (0.40) ALDH1A1HSD17B10HPGDHTTLMNA
SCHEMBL20356658 0.86 NPSR1 (0.37) ALDH1A1HSD17B10HPGDHTTLMNA
Hydrochloric Acid SCHEMBL21526047 0.85 NPSR1 (0.37) ALDH1A1HSD17B10HPGDHTTLMNA
SCHEMBL21548875 0.85 ALDH1A1 (0.47) ALDH1A1LMNAPOLBTSHRKMT2A
SCHEMBL21525997 0.84 SMN1; SMN2 (0.46) ALDH1A1HSD17B10HPGDHTTLMNA
SCHEMBL21548879 0.84 HTT (0.45) ALDH1A1HSD17B10HPGDHTTLMNA
Hydrochloric Acid SCHEMBL21526091 0.84 ALDH1A1 (0.46) ALDH1A1LMNAPOLBTSHRKMT2A

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 ALDH1A1 3457/4885HSD17B10 3862/4885HPGD 2237/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 ALDH1A1 3457/4885HSD17B10 3862/4885HPGD 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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