SCHEMBL21526079

SCHEMBL21526079

Cc1nc(C(=O)O)nc(OCc2cccnc2)c1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 1/20 0.44
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ SLC1A5 Q15758 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ NAMPT P43490 3/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CCR4 P51679 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL20356576 0.91 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL21526094 0.89 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL20356567 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL20356707 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL20356709 0.83 NR4A2 (0.42) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL21548844 0.83 SMN1; SMN2 (0.40) GPR132HTR1ADRD2SMN1; SMN2LMNA
SCHEMBL21526040 0.83 SMN1; SMN2 (0.41) SLC1A5SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL21525997 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL20356665 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNAMPTALDH1A1
SCHEMBL20356708 0.82 ALDH1A1 (0.43) SMN1; SMN2LMNAHTTALDH1A1MAPT

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 6 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

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 GPR132 93/4885HTR1A 1156/4885DRD2 735/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 GPR132 93/4885HTR1A 1156/4885DRD2 735/4885

“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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