SCHEMBL4154947 — 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
▸	CHRNB2 known ✓	P17787	2/20	0.36

▸	CHRNA4 known ✓	P43681	2/20	0.36

▸	MAPT	P10636	2/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	TP53	P04637	1/20	0.39

▸	TACR2	P21452	1/20	0.38

▸	TACR1	P25103	1/20	0.38

▸	TAC3	Q9UHF0	1/20	0.38

▸	DPP4	P27487	3/20	0.37

▸	GAA	P10253	1/20	0.36

▸	SLC6A2	P23975	4/20	0.36

▸	SLC6A4	P31645	4/20	0.36

▸	SLC6A3	Q01959	4/20	0.36

▸	CHRNA1	P02708	2/20	0.36

▸	CHRNG	P07510	2/20	0.36

▸	ITGA5	P08648	2/20	0.36

▸	CHRNB1	P11230	2/20	0.36

▸	CHRNB4	P30926	2/20	0.36

▸	CHRNA3	P32297	2/20	0.36

▸	CHRND	Q07001	2/20	0.36

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
SCHEMBL4154951	1.00	MAPT (0.39)	MAPTLMNATP53TACR2TACR1
SCHEMBL4154167	0.93	TACR2 (0.44)	MAPTLMNATP53TACR2TACR1
SCHEMBL4141329	0.93	TACR2 (0.44)	MAPTLMNATP53TACR2TACR1
SCHEMBL4156342	0.93	MAPT (0.41)	MAPTLMNATP53TACR2TACR1
SCHEMBL4141326	0.93	TACR2 (0.44)	MAPTLMNATP53TACR2TACR1
SCHEMBL4149555	0.93	TACR2 (0.44)	MAPTLMNATP53TACR2TACR1
SCHEMBL4156345	0.93	MAPT (0.41)	MAPTLMNATP53TACR2TACR1
SCHEMBL4141355	0.90	LMNA (0.38)	MAPTLMNATP53TACR2TACR1
SCHEMBL4141353	0.90	LMNA (0.38)	MAPTLMNATP53TACR2TACR1
SCHEMBL4149375	0.88	DPP4 (0.41)	TP53DPP4KCNH2CYP2D6NPC1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8470816-B2	Nitrogen-containing heterocyclic compound and use thereof	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2013-06-25	—	—	US	disclosed
US-20090156572-A1	Nitrogen-containing heterocyclic compound and use thereof	TAKEDA PHARMACEUTICAL COMPANY LIMITED	2009-06-18	—	—	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 (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-20090156572-A1	Nitrogen-containing heterocyclic compound and use thereof	NTSR2, NTSR1, HNMT	CHRNB2 517/4885CHRNA4 665/4885MAPT 4420/4885

“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.