SCHEMBL4133337 — 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 19)

	gene	UniProt	supporting neighbours	confidence
▸	BCL2 known ✓	P10415	1/20	0.42

▸	MCL1 known ✓	Q07820	1/20	0.42

▸	EGFR known ✓	P00533	2/20	0.39

▸	SRC	P12931	1/20	0.48

▸	PARP1	P09874	7/20	0.46

▸	CHEK1	O14757	2/20	0.42

▸	PIM1	P11309	2/20	0.42

▸	RPS6KA3	P51812	1/20	0.42

▸	SLC2A1	P11166	1/20	0.42

▸	IP6K1	Q92551	2/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	AKT1	P31749	1/20	0.39

▸	FLT3	P36888	1/20	0.39

▸	PIM3	Q86V86	1/20	0.39

▸	MKNK1	Q9BUB5	1/20	0.39

▸	DHFR	P00374	1/20	0.38

▸	IP6K3	Q96PC2	1/20	0.37

▸	IP6K2	Q9UHH9	1/20	0.37

▸	ACVR1	Q04771	2/20	0.37

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
SCHEMBL641721	0.93	SRC (0.54)	SRCPARP1CHEK1PIM1BCL2
Hydrochloric Acid SCHEMBL27988354	0.92	SRC (0.52)	SRCPARP1CHEK1PIM1BCL2
Acetic Acid SCHEMBL29153417	0.88	SRC (0.49)	SRCPARP1CHEK1PIM1BCL2
SCHEMBL298221	0.87	PARP1 (0.51)	SRCPARP1CHEK1PIM1BCL2
SCHEMBL3664757	0.83	PARP1 (0.48)	SRCPARP1CHEK1PIM1BCL2
Acetic Acid SCHEMBL28399538	0.82	SLC2A1 (0.49)	SRCPARP1CHEK1PIM1BCL2
SCHEMBL8917	0.81	SRC (0.63)	SRCPARP1CHEK1PIM1RPS6KA3
SCHEMBL4133341	0.81	SRC (0.53)	SRCPARP1CHEK1PIM1RPS6KA3
SCHEMBL3240833	0.79	PARP1 (0.49)	SRCPARP1CHEK1PIM1BCL2
SCHEMBL4018251	0.78	PARP1 (0.48)	SRCPARP1CHEK1PIM1BCL2

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-20090076044-A1	VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY	CURIS, INC.	2009-03-19	—	—	US	disclosed
US-20080221132-A1	Multi-Functional Small Molecules as Anti-Proliferative Agents	CURIS, INC.	2008-09-11	—	—	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 (2 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-20080221132-A1	Multi-Functional Small Molecules as Anti-Proliferative Agents	HDAC1, HDAC6, HDAC5	BCL2 59/4885MCL1 14/4885EGFR 2358/4885
US-20090076044-A1	VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY	KDR, HDAC1, FLT4	BCL2 392/4885MCL1 730/4885EGFR 72/4885

“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.