SCHEMBL21526053

SCHEMBL21526053

Cc1nc(C(=O)O)nc(Cl)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ P2RX7 Q99572 3/20 0.43
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 3/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ COPS5 Q92905 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGFR P43088 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ PTGIR P43119 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DPP9 Q86TI2 1/20 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
SCHEMBL20356667 0.93 SMN1; SMN2 (0.54) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21526042 0.88 SMN1; SMN2 (0.52) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21548933 0.87 SMN1; SMN2 (0.61) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21526039 0.85 HTT (0.46) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21526074 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21526072 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HTTKDM4CCOPS5TBXA2R
SCHEMBL21526065 0.84 HTT (0.45) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21526045 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HTTP2RX7KDM4EKMT2A
SCHEMBL21526098 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4CCOPS5TBXA2R
SCHEMBL21526117 0.83 SMN1; SMN2 (0.44) SMN1; SMN2HTTP2RX7DPP4KDM4E

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 8 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
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 3973/4885P2RX7 137/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885P2RX7 137/4885

“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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