SCHEMBL3113974

SCHEMBL3113974

CCN(C(=O)O)c1cccc(Cn2nc(C(=N)NO)ccc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MET P08581 3/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ MME P08473 1/20 0.35

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
SCHEMBL3108456 0.85 MEN1 (0.48) KMT2ASMN1; SMN2MEN1MET
SCHEMBL3117008 0.84 KMT2A (0.46) KMT2ATDP1ALDH1A1SMN1; SMN2USP2
SCHEMBL3112755 0.78 KMT2A (0.40) KMT2ASMN1; SMN2MEN1MET
SCHEMBL3119810 0.76 MEN1 (0.50) KMT2ASMN1; SMN2MEN1MET
SCHEMBL3119589 0.76 MEN1 (0.50) KMT2ASMN1; SMN2MEN1MET
SCHEMBL3122723 0.76 MET (0.48) KMT2AMEN1MET
SCHEMBL3112440 0.76 MEN1 (0.50) KMT2ASMN1; SMN2MEN1MET
SCHEMBL3108392 0.75 MET (0.47) KMT2AMEN1MET
SCHEMBL3109927 0.75 HDAC1 (0.45) KMT2AMEN1MET
SCHEMBL3103580 0.74 MEN1 (0.48) KMT2ASMN1; SMN2MEN1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 — — US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 — — 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET KMT2A 1002/4885TDP1 2917/4885ALDH1A1 851/4885

“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.

Send feedback