SCHEMBL2749079

SCHEMBL2749079

O=C(O)c1cc2ncnc(Oc3ccccc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
CSF1R P07333 7/20 0.41
TRPA1 O75762 1/20 0.40
HPGDS O60760 1/20 0.40
KDR P35968 4/20 0.40
KDM4A O75164 1/20 0.40
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HAO1 Q9UJM8 2/20 0.39
BRAF P15056 1/20 0.38
GPR17 Q13304 1/20 0.38

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
SCHEMBL2748675 0.89 RHEB (0.43) CSF1RTRPA1KDRMAP3K7TAB1
SCHEMBL2748271 0.78 MEN1 (0.43) KMT2ACSF1RTRPA1KDRMEN1
SCHEMBL2748797 0.78 KDM4C (0.45) KMT2ACSF1RTRPA1KDM4AMAP3K7
SCHEMBL2747947 0.78 TRPA1 (0.40) KMT2ACSF1RTRPA1KDRMAP3K7
SCHEMBL2748586 0.75 TRPA1 (0.40) KMT2ACSF1RTRPA1KDRMEN1
SCHEMBL2748394 0.74 TRPA1 (0.37) KMT2ACSF1RTRPA1KDRKDM4A
SCHEMBL2748398 0.74 TRPA1 (0.37) KMT2ACSF1RTRPA1KDRKDM4A
SCHEMBL3356548 0.73 MEN1 (0.37) KMT2ACSF1RTRPA1KDRKDM4A
SCHEMBL2747995 0.72 TK1 (0.36) KMT2ACSF1RKDRMAP3K7TAB1
SCHEMBL2747992 0.72 TK1 (0.36) KMT2ACSF1RKDRMAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 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 (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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885CSF1R 331/4885TRPA1 2871/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 KMT2A 690/4885CSF1R 331/4885TRPA1 2871/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885CSF1R 331/4885TRPA1 2871/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 KMT2A 690/4885CSF1R 331/4885TRPA1 2871/4885

“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.