SCHEMBL3107401

SCHEMBL3107401

CN(Cc1nc(-c2cc[c]cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 5/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KLF5 Q13887 1/20 0.40

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
SCHEMBL14679172 0.87 LMNA (0.57) LMNATSHRALDH1A1HTTSMN1; SMN2
SCHEMBL22280529 0.74 HDAC2 (0.54) LMNATSHRALDH1A1RAB9ANPC1
SCHEMBL26185952 0.74 CTSL (0.43) KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7276838 0.73 ALDH1A1 (0.67) ALDH1A1
SCHEMBL14153549 0.72 HDAC1 (0.49) LMNATSHRKMT2AALDH1A1NPC1
SCHEMBL28668539 0.71 RAB9A (0.52) TSHRKMT2AALDH1A1RAB9ANPC1
SCHEMBL14736018 0.70 TSHR (0.54) LMNATSHRKMT2AALDH1A1HTT
SCHEMBL1935158 0.70 SLC26A6 (0.36) TSHRKMT2AALDH1A1
SCHEMBL29496372 0.70 SPHK1 (0.53) LMNATSHRALDH1A1RAB9ANPC1
SCHEMBL315371 0.69 ACACB (0.55) LMNATSHRKMT2AALDH1A1RAB9A

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-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
EP-2150539-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-02-10 — — EP disclosed
WO-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 — — WO 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 LMNA 2650/4885TSHR 421/4885KMT2A 1002/4885

“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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