SCHEMBL3314426

SCHEMBL3314426

COc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
EGFR P00533 4/20 0.61
BRAF P15056 1/20 0.61
MAOA P21397 3/20 0.59
MEN1 O00255 3/20 0.57
PDE5A O76074 1/20 0.57
MAOB P27338 3/20 0.57
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ADRB2 P07550 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL3314469 0.93 KMT2A (0.65) KMT2AEGFRBRAFMAOAMEN1
SCHEMBL3314624 0.92 KMT2A (0.64) KMT2AEGFRBRAFMAOAMEN1
SCHEMBL3310619 0.90 KDM4E (0.61) KMT2AEGFRBRAFMAOAMEN1
SCHEMBL3314397 0.87 ALDH1A1 (0.62) KMT2AEGFRMAOAMEN1MAOB
SCHEMBL3314170 0.86 KMT2A (0.86) KMT2AMAOAMEN1PDE5AMAOB
SCHEMBL3312868 0.84 KMT2A (0.65) KMT2AEGFRMAOAMEN1MAOB
SCHEMBL3319431 0.84 KMT2A (0.61) KMT2AEGFRMAOAMEN1MAOB
SCHEMBL3314554 0.84 XBP1 (0.57) KMT2AMAOAMEN1RAB9AKDM4E
SCHEMBL3314649 0.84 XBP1 (0.57) KMT2AEGFRMAOAMEN1MAOB
SCHEMBL8208622 0.84 KMT2A (0.54) KMT2AEGFRBRAFMAOAMEN1

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 2514/4885EGFR 4860/4885BRAF 2640/4885

“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.