SCHEMBL4888050

SCHEMBL4888050

Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
MAPK1 P28482 1/20 1.00
AHR P35869 1/20 1.00
HTT P42858 1/20 1.00
PI4KB Q9UBF8 1/20 0.63
ALDH1A1 P00352 2/20 0.61
ALK Q9UM73 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
USP2 O75604 1/20 0.60
TTBK1 Q5TCY1 1/20 0.60
TTBK2 Q6IQ55 1/20 0.60
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
EGFR P00533 7/20 0.58

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
SCHEMBL4008515 0.89 MAPT (0.80) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4886099 0.88 MAPT (0.78) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4007231 0.88 MAPT (0.78) MAPTMAPK1AHRHTTPI4KB
SCHEMBL12527373 0.87 HTT (0.77) MAPTMAPK1AHRHTTALDH1A1
SCHEMBL14026144 0.87 MAPT (0.77) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4891594 0.87 MAPT (0.77) MAPTMAPK1AHRHTTPI4KB
SCHEMBL5177220 0.86 MAPT (0.74) MAPTMAPK1AHRHTTPI4KB
SCHEMBL14026142 0.84 MAPK1 (0.72) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4007152 0.84 MAPK1 (0.72) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4890194 0.83 MAPT (0.71) MAPTMAPK1AHRHTTPI4KB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242751-B1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-15 EP disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
EP-1748991-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-02-07 EP disclosed
WO-2005105761-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-11-10 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-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPT 4065/4885MAPK1 4096/4885AHR 3297/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MAPT 3866/4885MAPK1 2957/4885AHR 4423/4885
US-20080311076-A1 Morpholinylanilinoquinazoline Derivatives For Use As Antiviral Agents EIF2AK2, MAVS, IRF3 MAPT 2064/4885MAPK1 1945/4885AHR 2708/4885

“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.