SCHEMBL332840

SCHEMBL332840

N#CC1(c2cccc(Br)c2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PIK3CD O00329 2/20 0.40
WDR5 P61964 4/20 0.37
OPRM1 P35372 2/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
CNR2 P34972 1/20 0.35
OPRL1 P41146 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL19330905 0.91 KMT2A (0.36) KMT2APIK3CDWDR5OPRM1PRKACA
SCHEMBL3206919 0.88 KMT2A (0.45) KMT2AWDR5OPRM1OPRL1
SCHEMBL1492681 0.85 WDR5 (0.46) KMT2AWDR5OPRM1
SCHEMBL17632371 0.85 WDR5 (0.46) KMT2AWDR5OPRM1LMNA
SCHEMBL3171333 0.83 WDR5 (0.47) KMT2AWDR5OPRM1
SCHEMBL1598590 0.82 KMT2A (0.41) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL1599547 0.81 KMT2A (0.40) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL13439854 0.81 PIK3CD (0.45) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL7811081 0.81 KMT2A (0.40) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL625294 0.81 ICMT (0.44) KMT2APIK3CDOPRM1SLC6A2SLC6A4

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346624-B1 ENZYME INHIBITORS FORMED BY DEHYDROHALOGENATION PFIZER INC 2002-02-12 US claimed
US-6344563-B1 SULFIDING, DEHYDROHALOGENATION, FORMATION OF BOND BETWEEN CARBON AND NITROGEN NORRIS TIMOTHY (US) 2002-02-05 US claimed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN claimed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN claimed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP disclosed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed
US-6194585-B1 REACTING 4-(3-(4-(2-(ALKYL OR ARYL-IMIDAZOL-1-YL)-PHENYL SULFANYL)-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID AMIDE WITH METHANESULFONIC ACID TO FORM CORRESPONDING METHANESULFONIC ACID PFIZER INC. 2001-02-27 US disclosed
EP-1029865-A2 Process and intermediates for preparing 5-lipoxygenase inhibitors Pfizer Products Inc. (US) 2000-08-23 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 KMT2A 2535/4885PIK3CD 14/4885WDR5 2710/4885

“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.