SCHEMBL5413769

SCHEMBL5413769

CNc1nc(Cl)ncc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NFKB1 P19838 3/20 0.39
▸ ATF1 P18846 1/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ JUN P05412 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NNMT P40261 1/20 0.37
▸ LRRK2 Q5S007 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL14810384 0.84 KDM4E (0.57) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL31612085 0.83 LRRK2 (0.41) YTHDC1HPGDNFKB1ATF1NFKB2
SCHEMBL20760174 0.81 NNMT (0.53) YTHDC1KDM4EALDH1A1NFKB1ATF1
SCHEMBL1602748 0.81 NFKB1 (0.46) KDM4ENPC1MAPTALDH1A1NFKB1
SCHEMBL30110408 0.81 NFKB1 (0.46) KDM4ENPC1MAPTALDH1A1NFKB1
SCHEMBL21746957 0.79 NFKB1 (0.55) KDM4ENPC1MAPTALDH1A1NFKB1
SCHEMBL20354306 0.78 KMT2A (0.51) KDM4ENPC1MAPTALDH1A1SYK
SCHEMBL28533353 0.78 KMT2A (0.55) KDM4ENPC1MAPTALDH1A1SYK
SCHEMBL21554055 0.78 TSHR (0.45) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL31584477 0.78 TSHR (0.45) KDM4ENPC1MAPTALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 — — US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 — — US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — US 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 YTHDC1 1268/4885KDM4E 2886/4885NPC1 679/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 YTHDC1 1094/4885KDM4E 3600/4885NPC1 1758/4885

“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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