SCHEMBL5402128

SCHEMBL5402128

Cc1nc(Cl)c2ccc(Br)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 1/20 0.41
FBP1 P09467 1/20 0.40
NQO2 P16083 1/20 0.40
PTGES O14684 7/20 0.39
HTT P42858 1/20 0.39
PDE10A Q9Y233 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
POLB P06746 1/20 0.37
NT5E P21589 1/20 0.37
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL3118975 0.85 RXFP1 (0.51) MPOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2424537 0.81 HTT (0.53) MPOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29487354 0.81 HTT (0.53) MPOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29490199 0.78 MPO (0.43) MPORXFP1ACHEPDE10APOLB
SCHEMBL17752895 0.78 PTGES (0.41) CYP1A2CYP2C19ACHENQO2PTGES
SCHEMBL24373387 0.78 MPO (0.46) MPOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL856384 0.78 MPO (0.43) MPORXFP1ACHEPDE10APOLB
SCHEMBL7427955 0.78 MPO (0.46) MPOCYP1A2CYP2C19RXFP1ACHE
SCHEMBL22234107 0.78 HRH4 (0.50) MPOACHEPTGESHTTHRH4
SCHEMBL15033544 0.77 PRNP (0.50) MPOCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
EP-2788332-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN, INC. (US) 2014-10-15 EP disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
CN-1444563-A Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2003-09-24 CN disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO disclosed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (4 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A MPO 141/4885CYP1A2 890/4885CYP2D6 711/4885
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B MPO 3001/4885CYP1A2 399/4885CYP2D6 275/4885
US-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 MPO 2241/4885CYP1A2 21/4885CYP2D6 95/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MPO 2731/4885CYP1A2 3834/4885CYP2D6 4192/4885

“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.