SCHEMBL3377117 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 BMX BRAF BTK CHRNA4 CHRNB2 CSNK1E EGFR ERBB2 F10 FLT1 FLT3 FLT4 IGF1R INSR ITK JAK3 KDR KIT OPRM1 PARP1 PARP2 PDGFRB PIK3CD RAF1 RET SLC18A2 TEC TXK dacA dacB dacC ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	4/20	0.59

▸	CYP2D6	P10635	1/20	0.49

▸	MAPK1	P28482	1/20	0.49

▸	CYP2C9	P11712	2/20	0.48

▸	CYP1A2	P05177	1/20	0.48

▸	F2	P00734	3/20	0.47

▸	PRSS1	P07477	3/20	0.47

▸	PRSS2	P07478	3/20	0.47

▸	PRSS3	P35030	3/20	0.47

▸	CA1	P00915	2/20	0.47

▸	CA2	P00918	2/20	0.47

▸	CA12	O43570	1/20	0.47

▸	CA3	P07451	1/20	0.47

▸	CA6	P23280	1/20	0.47

▸	CA5A	P35218	1/20	0.47

▸	CA7	P43166	1/20	0.47

▸	CA9	Q16790	1/20	0.47

▸	CA5B	Q9Y2D0	1/20	0.47

▸	TSHR	P16473	1/20	0.47

▸	NT5E	P21589	1/20	0.47

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.

Compound	similarity	top predicted	shared targets
SCHEMBL27914451	0.89	ALDH1A1 (0.59)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Propionamide SCHEMBL9545062	0.89	ALDH1A1 (0.59)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Urea SCHEMBL11794762	0.88	ALDH1A1 (0.57)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Hydrazine SCHEMBL8861759	0.88	ALDH1A1 (0.58)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
SCHEMBL4703730	0.87	ALDH1A1 (0.54)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Glycolic Acid SCHEMBL1872362	0.86	KEAP1 (0.49)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
SCHEMBL4727499	0.86	ALDH1A1 (0.47)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Glycolic Acid SCHEMBL8907068	0.86	KEAP1 (0.49)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
Acetamide SCHEMBL5102677	0.86	ALDH1A1 (0.55)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2
SCHEMBL29548124	0.86	ALDH1A1 (0.55)	ALDH1A1CYP2D6MAPK1CYP2C9CYP1A2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1926737-B1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	HOFFMANN LA ROCHE (CH)	2017-03-15	—	—	EP	claimed
EP-2038288-B1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	HOFFMANN LA ROCHE (CH)	2010-11-24	—	—	EP	claimed
EP-2038288-A1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F.HOFFMANN-LA ROCHE AG (CH)	2009-03-25	—	—	EP	claimed
EP-1926737-A1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F.HOFFMANN-LA ROCHE AG (CH)	2008-06-04	—	—	EP	claimed
US-20080009515-A1	Substituted thieno&lsqb;3,2-C&rsqb;pyridine carboxylic acid derivatives	CHEN YI	2008-01-10	—	—	US	claimed
WO-2008000697-A1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F. HOFFMANN-LA ROCHE AG (CH)	2008-01-03	—	—	WO	claimed
WO-2007031428-A1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F. HOFFMANN-LA ROCHE AG (CH)	2007-03-22	—	—	WO	claimed
US-20070060607-A1	4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives	BARTKOVITZ DAVID J	2007-03-15	—	—	US	claimed
EP-1926737-B1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	HOFFMANN LA ROCHE (CH)	2017-03-15	—	—	EP	disclosed
EP-2038288-B1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	HOFFMANN LA ROCHE (CH)	2010-11-24	—	—	EP	disclosed
EP-2038288-A1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F.HOFFMANN-LA ROCHE AG (CH)	2009-03-25	—	—	EP	disclosed
EP-1926737-A1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F.HOFFMANN-LA ROCHE AG (CH)	2008-06-04	—	—	EP	disclosed
US-20080009515-A1	Substituted thieno&lsqb;3,2-C&rsqb;pyridine carboxylic acid derivatives	CHEN YI	2008-01-10	—	—	US	disclosed
WO-2008000697-A1	NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F. HOFFMANN-LA ROCHE AG (CH)	2008-01-03	—	—	WO	disclosed
WO-2007031428-A1	4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES	F. HOFFMANN-LA ROCHE AG (CH)	2007-03-22	—	—	WO	disclosed
US-20070060607-A1	4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives	BARTKOVITZ DAVID J	2007-03-15	—	—	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 (2 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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20070060607-A1	4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives	BRAF, RAF1, MAP3K7	ALDH1A1 933/4885CYP2D6 1677/4885MAPK1 62/4885
US-20080009515-A1	Substituted thieno&lsqb;3,2-C&rsqb;pyridine carboxylic acid derivatives	UQCRB, UQCRC2, AURKB	ALDH1A1 379/4885CYP2D6 513/4885MAPK1 3825/4885

“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.