SCHEMBL183746

SCHEMBL183746

O=C(/C=N/O)Nc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
CYP1A2 P05177 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TGM2 P21980 1/20 0.61
TP53 P04637 2/20 0.53
ALDH1A1 P00352 2/20 0.52
MMP1 P03956 4/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
EGFR P00533 1/20 0.51
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 2/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL183793 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL183747 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL27983351 0.81 MEN1 (0.69) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL1398153 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL10212256 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL7612445 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505530 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505846 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505069 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL505845 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
CN-101068794-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2012-12-19 CN disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8158637-B2 Sodium channel moderators; antiarrhythmia agents; analgesics; antiarthritic agents; antiinflammatory agents; antieplipetic agents; psychological disorders; nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-17 US disclosed
CN-101356168-A Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMA (US) 2009-01-28 CN disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 CN disclosed
WO-2007058989-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MEN1 2548/4885KMT2A 2404/4885CYP1A2 2466/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 MEN1 3006/4885KMT2A 2233/4885CYP1A2 2346/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 MEN1 3006/4885KMT2A 2233/4885CYP1A2 2346/4885

“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.