SCHEMBL21526040

SCHEMBL21526040

Cc1nc(C(=O)O)nc(OCc2ccccn2)c1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ MAP2K1 Q02750 2/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ P2RX4 Q99571 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PTGER1 P34995 2/20 0.37
▸ SLC1A5 Q15758 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ NR4A2 P43354 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ENPP1MAPTPTGER1
SCHEMBL20356567 0.85 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1ENPP1MAPT
SCHEMBL21525997 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL20356708 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1ENPP1MAPTPTGER1
Hydrochloric Acid SCHEMBL21526118 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL21526079 0.83 GPR132 (0.44) SMN1; SMN2KMT2AALDH1A1MAPTSLC1A5
SCHEMBL20356657 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AALDH1A1ENPP1MAPT
SCHEMBL20356707 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1ENPP1MAPT
SCHEMBL21525996 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
Hydrochloric Acid SCHEMBL21526119 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AALDH1A1ENPP1MAPT

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 SMN1; SMN2 2983/4885RAF1 2233/4885MAP2K1 4381/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885RAF1 2233/4885MAP2K1 4381/4885

“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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