SCHEMBL7250781 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

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
▸	ABL1 known ✓	P00519	1/20	0.58

▸	KDM4E	B2RXH2	2/20	0.58

▸	LMNA	P02545	1/20	0.58

▸	GPR119	Q8TDV5	1/20	0.56

▸	GAA	P10253	1/20	0.56

▸	CA12	O43570	10/20	0.55

▸	CA1	P00915	10/20	0.55

▸	CA2	P00918	10/20	0.55

▸	CA4	P22748	10/20	0.55

▸	CA7	P43166	10/20	0.55

▸	CA9	Q16790	10/20	0.55

▸	TRPV1	Q8NER1	7/20	0.55

▸	SYK	P43405	1/20	0.52

▸	KMT2A	Q03164	2/20	0.52

▸	MEN1	O00255	1/20	0.52

▸	ALDH1A1	P00352	1/20	0.52

▸	DPP4	P27487	1/20	0.52

▸	DPP8	Q6V1X1	1/20	0.52

▸	DPP9	Q86TI2	1/20	0.52

▸	DPP7	Q9UHL4	1/20	0.52

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
SCHEMBL3030259	0.90	KDM4E (0.61)	KDM4EABL1LMNAGPR119CA12
SCHEMBL1349588	0.90	KDM4E (0.61)	KDM4EABL1LMNAGPR119CA12
SCHEMBL785166	0.90	KDM4E (0.61)	KDM4EABL1LMNAGPR119CA12
Hydrochloric Acid SCHEMBL23167687	0.89	KDM4E (0.60)	KDM4EABL1LMNAGPR119CA12
Hydrochloric Acid SCHEMBL23167691	0.89	KDM4E (0.60)	KDM4EABL1LMNAGPR119CA12
SCHEMBL1351273	0.82	KDM4E (0.68)	KDM4EABL1LMNAGPR119GAA
Hydrochloric Acid SCHEMBL2001717	0.81	KDM4E (0.67)	KDM4EABL1LMNAGPR119GAA
Hydrochloric Acid SCHEMBL29773190	0.81	KDM4E (0.67)	KDM4EABL1LMNAGPR119GAA
Hydrochloric Acid SCHEMBL2121386	0.81	KDM4E (0.67)	KDM4EABL1LMNAGPR119GAA
Mandelic Acid SCHEMBL7251915	0.79	LMNA (0.54)	KDM4EABL1LMNACA12CA1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20030069423-A1	Novel processes for the preparation of adenosine compounds and intermediates thereto	AVENTIS PHARMA DEUTSCHLAND GMBH (DE)	2003-04-10	—	—	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-20030069423-A1	Novel processes for the preparation of adenosine compounds and intermediates thereto	ADK, ADORA2A, ADORA1	ABL1 3212/4885KDM4E 3423/4885LMNA 569/4885

“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.