SCHEMBL3367549

SCHEMBL3367549

Clc1ncnc2cc(OCCN3CCCCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
SIGMAR1 Q99720 3/20 0.52
HRH3 Q9Y5N1 6/20 0.51
LTA4H P09960 2/20 0.50
PTGS2 P35354 1/20 0.50
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
GRM4 Q14833 1/20 0.48
MAOB P27338 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL31469369 0.89 MEN1 (0.54) KDM4ESIGMAR1HRH3LTA4H
SCHEMBL4507750 0.88 KDM4E (0.61) KDM4ESIGMAR1LTA4HNPC1TSHR
SCHEMBL4424443 0.85 MAP4K4 (0.56) SIGMAR1HRH3LTA4HPTGS2PSMB1
SCHEMBL31298956 0.83 MAP4K4 (0.57) KDM4ESIGMAR1HRH3LTA4HPTGS2
SCHEMBL4416516 0.83 MAP4K4 (0.57) KDM4ESIGMAR1HRH3LTA4HPTGS2
SCHEMBL4505427 0.82 HRH3 (0.54) KDM4ESIGMAR1HRH3NPC1RAB9A
SCHEMBL4506955 0.81 SRC (0.59) KDM4ESIGMAR1HRH3GRM4
Hydrochloric Acid SCHEMBL7865977 0.81 SRC (0.58) KDM4ESIGMAR1HRH3GRM4
SCHEMBL3364377 0.79 HRH3 (0.53) SIGMAR1HRH3PSMB1PSMB5PSMB2
SCHEMBL3424568 0.78 PDE4A (0.44) NPC1RAB9A

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 KDM4E 3139/4885POLB 2847/4885SIGMAR1 1369/4885
US-20040186110-A1 Nitrogenous heterocylic compounds WNK2, CDK5, WNK1 KDM4E 2910/4885POLB 3158/4885SIGMAR1 1354/4885

“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.