SCHEMBL3054604 — 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
▸	KDR known ✓	P35968	2/20	0.35

▸	KIT known ✓	P10721	1/20	0.35

▸	FLT1 known ✓	P17948	1/20	0.35

▸	ROCK1 known ✓	Q13464	1/20	0.32

▸	DHODH	Q02127	1/20	0.37

▸	SCN1A	P35498	2/20	0.34

▸	SCN5A	Q14524	2/20	0.34

▸	SCN8A	Q9UQD0	2/20	0.34

▸	BRD4	O60885	1/20	0.33

▸	PARP1	P09874	3/20	0.33

▸	PDCD1	Q15116	1/20	0.32

▸	CD274	Q9NZQ7	1/20	0.32

▸	CDC7	O00311	1/20	0.32

▸	CCNE1	P24864	1/20	0.32

▸	CDK2	P24941	1/20	0.32

▸	DBF4	Q9UBU7	1/20	0.32

▸	TNKS	O95271	1/20	0.32

▸	TNKS2	Q9H2K2	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	MEN1	O00255	1/20	0.31

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
SCHEMBL3049186	1.00	DHODH (0.37)	DHODHKDRKITFLT1SCN1A
SCHEMBL3049179	1.00	DHODH (0.37)	DHODHKDRKITFLT1SCN1A
SCHEMBL3059023	0.93	KDR (0.36)	DHODHKDRKITFLT1SCN1A
SCHEMBL2778363	0.93	KDR (0.36)	DHODHKDRKITFLT1SCN1A
SCHEMBL2778366	0.93	KDR (0.36)	DHODHKDRKITFLT1SCN1A
Hydrochloric Acid SCHEMBL3049991	0.92	KDR (0.36)	DHODHKDRKITFLT1BRD4
Hydrochloric Acid SCHEMBL3049990	0.92	KDR (0.36)	DHODHKDRKITFLT1BRD4
SCHEMBL3060549	0.90	KDR (0.37)	KDRKITFLT1BRD4PARP1
SCHEMBL3062082	0.90	PARP1 (0.42)	KDRKITFLT1BRD4PARP1
SCHEMBL3060576	0.88	KDR (0.39)	KDRKITFLT1BRD4PARP1

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-20100261706-A1	SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF	INOTEK PHARMACEUTICALS CORPORATION (US)	2010-10-14	—	—	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-20100261706-A1	SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF	TNNI3, TNNT2, ALDH1A2	KDR 97/4885KIT 1281/4885FLT1 68/4885

“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.