SCHEMBL21548841

SCHEMBL21548841

Cc1nc(C(=O)OC(C)(C)C)nc(C#Cc2ccncc2)c1Cc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PIK3CG P48736 1/20 0.36
▸ TP53 P04637 6/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ SLC26A6 Q9BXS9 1/20 0.33
▸ BUB1 O43683 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ MCTS1 Q9ULC4 1/20 0.31

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
SCHEMBL21526101 0.87 SMN1; SMN2 (0.43) SMN1; SMN2PIK3CGTP53LMNAALDH1A1
SCHEMBL21548842 0.81 SMN1; SMN2 (0.39) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL21548832 0.81 SMN1; SMN2 (0.46) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL21548942 0.80 SMN1; SMN2 (0.45) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL21526117 0.70 SMN1; SMN2 (0.44) SMN1; SMN2TP53LMNAALDH1A1P2RX7
SCHEMBL21526021 0.70 SLC26A6 (0.54) SMN1; SMN2LMNAALDH1A1ENPP1TDP1
SCHEMBL21526092 0.69 SMN1; SMN2 (0.56) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL21526006 0.69 SMN1; SMN2 (0.43) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL20356567 0.67 SMN1; SMN2 (0.41) SMN1; SMN2TP53LMNAALDH1A1ENPP1
SCHEMBL21526045 0.66 SMN1; SMN2 (0.52) SMN1; SMN2TP53LMNAALDH1A1ENPP1

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 4 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
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

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 2983/4885PIK3CG 1937/4885TP53 2921/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885PIK3CG 1937/4885TP53 2921/4885

“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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