SCHEMBL8376540

SCHEMBL8376540

O=C(c1ccc[nH]1)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
BRAF P15056 1/20 0.37
HPGDS O60760 1/20 0.37
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11087854 0.80 TSHR (0.44) DRD2DRD3TSHRCA12CA1
SCHEMBL30366356 0.74 FAAH (0.44) MAPTFAAHMGLLALDH1A1LMNA
SCHEMBL2451239 0.74 IGF1R (0.31)
SCHEMBL2451238 0.74 IGF1R (0.31)
SCHEMBL11399429 0.74 MAPT (0.42) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL9807751 0.74 CYP19A1 (0.46) MAPTFAAHMGLL
SCHEMBL1424751 0.73 CYP19A1 (0.47) MAPTTSHRFAAHMGLLRAB9A
SCHEMBL2954704 0.72 MAPT (0.41) MAPTFAAHMGLLBRAFNPC1
SCHEMBL4761522 0.72 MAPT (0.39) MAPTFAAHMGLL
SCHEMBL9807759 0.71 KDM4E (0.45) MAPTFAAHMGLLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-20070232613-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-10-04 US disclosed
US-20070232613-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-10-04 US disclosed
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-23 US disclosed
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2007-08-23 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
US-5883102-A Pharmaceutically active compounds ASTRA PHARMACEUTICALS LIMITED (GB) 1999-03-16 US disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN disclosed
EP-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 EP disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 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 (3 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-20070232613-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4368/4885DRD3 3835/4885MAPT 4805/4885
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 DRD2 4368/4885DRD3 3835/4885MAPT 4805/4885
US-20070197547-A1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 DRD2 4368/4885DRD3 3835/4885MAPT 4805/4885

“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.