SCHEMBL4101615 — 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 18)

	gene	UniProt	supporting neighbours	confidence
▸	ABL1 known ✓	P00519	1/20	0.36

▸	PIP4K2A	P48426	1/20	0.42

▸	PIP4K2B	P78356	1/20	0.42

▸	PIP4K2C	Q8TBX8	1/20	0.42

▸	HPGDS	O60760	8/20	0.41

▸	ATR	Q13535	3/20	0.39

▸	ATRIP	Q8WXE1	2/20	0.39

▸	CHRNA7	P36544	2/20	0.39

▸	KCNH2	Q12809	2/20	0.39

▸	SRC	P12931	1/20	0.36

▸	CHEK1	O14757	1/20	0.35

▸	PDCD1	Q15116	1/20	0.35

▸	CD274	Q9NZQ7	1/20	0.35

▸	HRH3	Q9Y5N1	2/20	0.35

▸	PIK3CA	P42336	2/20	0.34

▸	MTOR	P42345	1/20	0.34

▸	PIK3R1	P27986	1/20	0.34

▸	PRKDC	P78527	1/20	0.34

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
SCHEMBL4108405	0.89	CHRNA7 (0.45)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7
SCHEMBL4108403	0.89	CHRNA7 (0.45)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7
SCHEMBL4114755	0.83	PIP4K2A (0.41)	PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4101618	0.77	HRH3 (0.32)	HRH3
SCHEMBL4103755	0.73	ATR (0.39)	ATRATRIPCHRNA7KCNH2CHEK1
SCHEMBL4114759	0.72	HTR1D (0.34)	HRH3
SCHEMBL4114351	0.72	KCNH2 (0.49)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7
SCHEMBL4108713	0.72	KCNH2 (0.49)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7
SCHEMBL4114354	0.72	KCNH2 (0.49)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7
SCHEMBL4108711	0.72	KCNH2 (0.49)	PIP4K2APIP4K2BPIP4K2CHPGDSCHRNA7

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
EP-2231672-B1	BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS	ABBVIE INC (US)	2014-12-17	—	—	EP	disclosed
EP-2604611-A1	N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor	AbbVie Inc. (US)	2013-06-19	—	—	EP	disclosed
US-20090197860-A1	BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES	ABBOTT LABORATORIES (US)	2009-08-06	—	—	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-20090197860-A1	BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES	BRCA1, VHL, AADAC	ABL1 61/4885PIP4K2A 796/4885PIP4K2B 1085/4885

“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.