SCHEMBL20356760

SCHEMBL20356760

CCSc1nc(C(=O)O)nc(C)c1Cc1ccc(C#N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL21526065 0.87 HTT (0.45) SMN1; SMN2TSHRP2RX7CYP1A2CYP2C19
SCHEMBL21548829 0.85 SMN1; SMN2 (0.45) GAASMN1; SMN2MAPTLMNATSHR
SCHEMBL21526074 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL21548948 0.75 PKM (0.36) GAASMN1; SMN2MAPTLMNATP53
SCHEMBL20356667 0.75 SMN1; SMN2 (0.54) SMN1; SMN2NPC1P2RX7L3MBTL1KDM4E
SCHEMBL21526053 0.72 SMN1; SMN2 (0.50) SMN1; SMN2NPC1P2RX7L3MBTL1KDM4E
SCHEMBL20356578 0.71 SMN1; SMN2 (0.44) SMN1; SMN2MAPTP2RX7KDM4ECYP3A4
SCHEMBL21526073 0.71 SMN1; SMN2 (0.44) SMN1; SMN2LMNAP2RX7ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL21526127 0.70 SMN1; SMN2 (0.43) SMN1; SMN2LMNAP2RX7ALDH1A1L3MBTL1
SCHEMBL21548933 0.70 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLMNANPC1P2RX7

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 GAA 3739/4885SMN1; SMN2 2983/4885MAPT 4880/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 GAA 3739/4885SMN1; SMN2 2983/4885MAPT 4880/4885

“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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