SCHEMBL3364689

SCHEMBL3364689

CC(Oc1ccc2c(=O)nc[nH]c2c1)C1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL3364693 0.76 CHEK2 (0.46)
SCHEMBL3367543 0.72 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL6386671 0.72 KDM4E (0.46) MEN1KMT2A
SCHEMBL28572232 0.70 MMP12 (0.60) SLC6A2MEN1KMT2A
SCHEMBL5729711 0.69 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6766361 0.69 KMT2A (0.49) SLC6A3SLC6A2SLC6A4KMT2A
SCHEMBL5317949 0.69 PARP10 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL3114462 0.69 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL23532721 0.69 MAOA (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL4965387 0.69 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4

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
EP-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP disclosed
US-20060063770-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-03-23 US disclosed
US-6956039-B2 Nitrogenous heterocylic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-18 US disclosed
US-20040186110-A1 Nitrogenous heterocylic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-23 US disclosed
EP-1309569-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016362-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 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-20060063770-A1 Nitrogenous heterocyclic compounds WNK2, CDK5, WNK1 SLC6A3 856/4885SLC6A2 1019/4885SLC6A4 1044/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 SLC6A3 1122/4885SLC6A2 1312/4885SLC6A4 1176/4885

“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.