SCHEMBL3314469

SCHEMBL3314469

COc1ccc(C2=NN(C(=O)c3ccccc3Cl)C(c3ccc(C)cc3)C2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MAOA P21397 5/20 0.59
MEN1 O00255 3/20 0.57
MAOB P27338 4/20 0.56
EGFR P00533 3/20 0.56
GAA P10253 1/20 0.54
ACHE P22303 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
BRAF P15056 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL3314426 0.93 KMT2A (0.65) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3314624 0.92 KMT2A (0.64) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL8208622 0.91 KMT2A (0.54) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3314397 0.87 ALDH1A1 (0.62) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3310619 0.84 KDM4E (0.61) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3312868 0.84 KMT2A (0.65) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3319431 0.84 KMT2A (0.61) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL3311114 0.82 KMT2A (0.68) KMT2AMAOAMEN1MAOBGAA
SCHEMBL8206289 0.81 ALDH1A1 (0.57) KMT2AMAOAMEN1MAOBEGFR
SCHEMBL20989162 0.81 KMT2A (0.78) KMT2AMAOAMEN1MAOBGAA

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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KMT2A 2514/4885MAOA 181/4885MEN1 4750/4885

“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.