SCHEMBL13099323

SCHEMBL13099323

CN1CCN(c2cnc(-c3cccc(C(=O)O)c3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.53
▸ TP53BP1 Q12888 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAP4K1 Q92918 1/20 0.47
▸ PAK1 Q13153 1/20 0.46
▸ PLOD2 O00469 1/20 0.45
▸ PLOD3 O60568 1/20 0.45
▸ PLOD1 Q02809 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ KMO O15229 2/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ TTR P02766 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL1950805 0.86 TP53BP1 (0.51) TP53BP1ALDH1A1KMT2AMAP4K1PLOD2
SCHEMBL3319386 0.80 ALDH1A1 (0.73) CHEK1KDM4EMEN1ALDH1A1GAA
SCHEMBL29631156 0.80 ALDH1A1 (0.73) CHEK1KDM4EMEN1ALDH1A1GAA
SCHEMBL1581704 0.79 JAK2 (0.48) MAP4K1HTR3A
SCHEMBL30735978 0.78 ACACB (0.48) CHEK1TP53BP1KDM4EALDH1A1
SCHEMBL12547524 0.76 AOC3 (0.46) MAP4K1HRH4HTR3A
SCHEMBL2384246 0.76 CHEK1 (0.59) CHEK1TP53BP1MAP4K1PLOD2PLOD3
SCHEMBL27868880 0.76 CHEK1 (0.52) CHEK1KDM4EMEN1ALDH1A1GAA
SCHEMBL998233 0.75 PRKD1 (0.74) CHEK1MAP4K1PRKD1
SCHEMBL4873418 0.75 NPC1 (0.56) CHEK1ALDH1A1NPC1RAB9APRKD1

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
US-8557813-B2 2-benzylpyridazinone derivatives as met kinase inhibitors MERCK PATENT GMBH (DE) 2013-10-15 — — US disclosed
US-8557813-B2 2-benzylpyridazinone derivatives as met kinase inhibitors MERCK PATENT GMBH (DE) 2013-10-15 — — US disclosed
US-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 — — US disclosed
US-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 — — 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 (1 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-20100273796-A1 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS ERBB2, RET, MET CHEK1 255/4885TP53BP1 856/4885KDM4E 231/4885

“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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