SCHEMBL2489459 — 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
▸	CYP2D6	P10635	2/20	0.55

▸	ALDH1A1	P00352	4/20	0.49

▸	LMNA	P02545	2/20	0.49

▸	HTT	P42858	2/20	0.49

▸	KDM4E	B2RXH2	1/20	0.49

▸	MAPT	P10636	1/20	0.49

▸	SMN1; SMN2	Q16637	1/20	0.49

▸	TDP1	Q9NUW8	1/20	0.49

▸	L3MBTL1	Q9Y468	1/20	0.49

▸	GAA	P10253	1/20	0.48

▸	SNCA	P37840	1/20	0.46

▸	PKM	P14618	2/20	0.46

▸	CA1	P00915	2/20	0.45

▸	CA2	P00918	2/20	0.45

▸	MMP1	P03956	1/20	0.45

▸	MMP2	P08253	1/20	0.45

▸	MMP9	P14780	1/20	0.45

▸	MMP8	P22894	1/20	0.45

▸	MMP13	P45452	1/20	0.45

▸	TSHR	P16473	2/20	0.45

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
SCHEMBL4826736	0.92	CYP2D6 (0.53)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL15312931	0.89	CYP2D6 (0.54)	CYP2D6ALDH1A1LMNAHTTKDM4E
Adamantane SCHEMBL15865265	0.88	CYP2D6 (0.51)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL4830968	0.87	CYP2D6 (0.52)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL1705904	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL34	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E
P-Xylene SCHEMBL8660591	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL31313	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL11432043	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E
SCHEMBL5068661	0.87	GAA (0.62)	CYP2D6ALDH1A1LMNAHTTKDM4E

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20150141387-A1	PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT	ASTRAZENECA UK LIMITED (GB)	2015-05-21	—	—	US	disclosed
EP-2379174-A1	PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT	AstraZeneca AB (SE)	2011-10-26	—	—	EP	disclosed
WO-2010071583-A1	PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT	ASTRAZENECA AB (SE)	2010-06-24	—	—	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 (1 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-20150141387-A1	PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT	NR3C2, GRK4, PTGER2	CYP2D6 3003/4885ALDH1A1 1934/4885LMNA 3283/4885

“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.