SCHEMBL426510

SCHEMBL426510

COc1cccnc1.OBO

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP17A1 P05093 3/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 1/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
Methyl Alcohol SCHEMBL29210207 0.91 KMT2A (0.59) KMT2ALMNATDP1ALDH1A1KDM4E
SCHEMBL162478 0.91
SCHEMBL29441943 0.91
SCHEMBL28048178 0.89
SCHEMBL2496141 0.89
Ethane SCHEMBL28312959 0.89 KMT2A (0.56) KMT2ALMNATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29091464 0.89 KMT2A (0.56) KMT2ALMNATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27638818 0.89
Hydrochloric Acid SCHEMBL9647740 0.89 KMT2A (0.56) KMT2ALMNATDP1ALDH1A1KDM4E
Ethyne SCHEMBL27176503 0.87 KMT2A (0.54) KMT2ALMNATDP1ALDH1A1KDM4E

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
CN-113956234-B N-phenyl substituted 1H-indazole-3-amine compound, preparation thereof and application of antitumor activity 温州医科大学 2023-07-21 CN claimed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 KMT2A 763/4885LMNA 3998/4885TDP1 4100/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 KMT2A 763/4885LMNA 3998/4885TDP1 4100/4885

“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.