SCHEMBL3367547

SCHEMBL3367547

Clc1ncnc2cc(OCCC3CCCCN3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
SSTR2 P30874 13/20 0.44
AURKB Q96GD4 1/20 0.43
LTA4H P09960 3/20 0.43
NPY1R P25929 1/20 0.41

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
SCHEMBL7145959 0.82 CHEK2 (0.43) CHEK2SSTR2AURKB
SCHEMBL4969086 0.82 CHEK2 (0.42) CHEK2SSTR2AURKBLTA4H
SCHEMBL3364384 0.81 CYP1A2 (0.44) CHEK2
SCHEMBL28996559 0.80 SSTR2 (0.44) CHEK2SSTR2AURKBLTA4H
SCHEMBL6608189 0.79 LTA4H (0.49) CHEK2AURKBLTA4H
SCHEMBL3364695 0.78 CHEK2 (0.46) CHEK2SSTR2AURKB
Hydrochloric Acid SCHEMBL7323126 0.78 LTA4H (0.48) CHEK2AURKBLTA4H
SCHEMBL11448671 0.77 LTA4H (0.68) CHEK2SSTR2AURKBLTA4HNPY1R
SCHEMBL3424568 0.77 PDE4A (0.44)
SCHEMBL4985294 0.76 ENPP1 (0.63) SSTR2

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 CHEK2 1001/4885SSTR2 1170/4885AURKB 951/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 CHEK2 1052/4885SSTR2 1231/4885AURKB 930/4885

“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.