SCHEMBL20356574

SCHEMBL20356574

COc1nc(C(=O)O)nc(C(C)C)c1Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CCR2 P41597 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC16A3 O15427 2/20 0.35
▸ SLC16A1 P53985 2/20 0.35
▸ GUCY1A1 Q02108 1/20 0.35
▸ GUCY1B1 Q02153 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL21526112 0.86 SMN1; SMN2 (0.41) SMN1; SMN2CCR2
SCHEMBL20356646 0.85 POLB (0.39) SMN1; SMN2CCR2CCR5PDE3BPDE3A
SCHEMBL21525996 0.84 SMN1; SMN2 (0.48) SMN1; SMN2PDE3BPDE3APOLBLMNA
SCHEMBL21526102 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PDE3BPDE3APOLBLMNA
SCHEMBL21526001 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PDE3BPDE3ALMNAMAPT
SCHEMBL21526036 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PDE3BPDE3APOLBLMNA
SCHEMBL20356524 0.82 MDM2 (0.39) SMN1; SMN2
SCHEMBL20356644 0.82 POLB (0.37) SMN1; SMN2CCR2CCR5POLBLMNA
Hydrochloric Acid SCHEMBL28322143 0.81 SMN1; SMN2 (0.37) SMN1; SMN2PDE3BPDE3ALMNAMAPT
SCHEMBL21548848 0.81 TLR7 (0.39) SMN1; SMN2PDE3BPDE3ALMNA

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 SMN1; SMN2 2983/4885CCR2 279/4885CCR5 243/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885CCR2 279/4885CCR5 243/4885

“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.

Send feedback