SCHEMBL21526141

SCHEMBL21526141

CNc1nc(C(N)=O)nc(C)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HTT P42858 4/20 0.49
▸ DPP4 P27487 3/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ CD38 P28907 1/20 0.43
▸ P2RX7 Q99572 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL21526042 0.86 SMN1; SMN2 (0.52) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL21548806 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL20356751 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL21526073 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTTDPP4DPP8CD38
Hydrochloric Acid SCHEMBL21526029 0.79 SMN1; SMN2 (0.42) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL20356667 0.78 SMN1; SMN2 (0.54) SMN1; SMN2HTTDPP4DPP8P2RX7
Hydrochloric Acid SCHEMBL21526127 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL21548809 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HTTDPP4DPP8CD38
Hydrochloric Acid SCHEMBL21526024 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HTTDPP4DPP8CD38
SCHEMBL20356749 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HTTCD38P2RX7HPGD

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 3973/4885DPP4 4340/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885DPP4 4340/4885

“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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