SCHEMBL21526072

SCHEMBL21526072

CCc1nc(C(=O)O)nc(Cl)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ COPS5 Q92905 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR4A2 P43354 1/20 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
SCHEMBL21526137 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HTTKDM4CFABP3FABP4
SCHEMBL21526053 0.85 SMN1; SMN2 (0.50) SMN1; SMN2HTTKDM4CCOPS5TBXA2R
SCHEMBL21526098 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4CFABP3FABP4
SCHEMBL20356667 0.80 SMN1; SMN2 (0.54) SMN1; SMN2HTTKDM4CCOPS5TBXA2R
SCHEMBL21526074 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDM4CCOPS5LMNA
SCHEMBL21548933 0.75 SMN1; SMN2 (0.61) SMN1; SMN2HTTKDM4CCOPS5LMNA
SCHEMBL21526065 0.75 HTT (0.45) SMN1; SMN2HTTKDM4CCOPS5KMT2A
SCHEMBL20356752 0.75 PTGER1 (0.38) FABP3FABP4FABP5PTGDR2TBXA2R
SCHEMBL20356758 0.75 ALDH1A1 (0.41) HTTLMNAALDH1A1
SCHEMBL21526073 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4CLMNATBXA2R

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-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
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 SMN1; SMN2 2983/4885HTT 3973/4885KDM4C 3833/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885KDM4C 3833/4885

“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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