SCHEMBL21526008

SCHEMBL21526008

Cc1nc(C(=O)O)nc(OCc2ccc(F)cc2F)c1Cc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 11/20 0.43
▸ MAPK14 Q16539 4/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL20356708 0.91 ALDH1A1 (0.43) PTGER1MAOBSMN1; SMN2ALDH1A1LMNA
SCHEMBL20356707 0.87 SMN1; SMN2 (0.41) PTGER1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20356709 0.86 NR4A2 (0.42) MAOBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20356576 0.84 SMN1; SMN2 (0.44) PTGER1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL23956006 0.83 MAPK14 (0.39) PTGER1MAPK14MAOBSMN1; SMN2ALDH1A1
SCHEMBL20356511 0.82 ALDH1A1 (0.46) PTGER1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21525997 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHPGDHTT
Hydrochloric Acid SCHEMBL21526118 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL21526040 0.80 SMN1; SMN2 (0.41) PTGER1SMN1; SMN2ALDH1A1HTTTP53
SCHEMBL20356567 0.80 SMN1; SMN2 (0.41) PTGER1SMN1; SMN2ALDH1A1LMNAHPGD

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 PTGER1 474/4885MAPK14 3760/4885MAOB 2948/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 PTGER1 474/4885MAPK14 3760/4885MAOB 2948/4885

“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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