Sugi Predict

Sugi Predict / Compounds / SCHEMBL2750702

SCHEMBL2750702

SCHEMBL2750702

CCOC(=O)c1cccc(Nc2ncnc3cc[nH]c23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ HPGD P15428 4/20 0.66
▸ BRAF P15056 1/20 0.57
▸ TP53 P04637 5/20 0.53
▸ THRB P10828 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ EGFR P00533 4/20 0.49
▸ ERBB2 P04626 4/20 0.49

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
SCHEMBL2747938 0.83 TOP2A (0.67) MAPTSMN1; SMN2LMNAPOLBRAB9A
SCHEMBL2747952 0.79 EGFR (0.64) MAPTSMN1; SMN2LMNAPOLBRAB9A
SCHEMBL2749369 0.77 ERBB4 (0.50) MAPTSMN1; SMN2LMNAPOLBRXFP1
SCHEMBL2463175 0.77 EGFR (0.74) MAPTSMN1; SMN2LMNAPOLBHPGD
SCHEMBL14242090 0.76 MAPT (0.64) MAPTSMN1; SMN2LMNAPOLBHPGD
SCHEMBL2748709 0.76 IRAK4 (0.53) KMT2AEGFRERBB2ERBB3ERBB4
SCHEMBL2748964 0.75 EGFR (0.57) SMN1; SMN2HPGDTP53RAB9AKDM4E
SCHEMBL2018372 0.75 MAPT (0.59) MAPTSMN1; SMN2LMNAPOLBHPGD
SCHEMBL2749089 0.74 MKNK2 (0.51) KDM4EEGFRERBB2ERBB3ERBB4
SCHEMBL13949411 0.73 EGFR (0.50) SMN1; SMN2HPGDTP53RAB9AKDM4E

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 21 patents — showing the first 20. 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
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
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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 — — US 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-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 — — 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-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-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 — — 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
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 — — 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
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 MAPT 4288/4885SMN1; SMN2 2002/4885LMNA 2833/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 MAPT 4288/4885SMN1; SMN2 2002/4885LMNA 2833/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 MAPT 4288/4885SMN1; SMN2 2002/4885LMNA 2833/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 MAPT 4288/4885SMN1; SMN2 2002/4885LMNA 2833/4885

“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.