SCHEMBL805547 — predicted protein targets

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.43

▸	CYP1A2	P05177	3/20	0.43

▸	CYP3A4	P08684	3/20	0.43

▸	CYP2C19	P33261	3/20	0.43

▸	KDM4E	B2RXH2	2/20	0.43

▸	LMNA	P02545	2/20	0.43

▸	MAPT	P10636	2/20	0.43

▸	CYP2D6	P10635	2/20	0.43

▸	CYP2C9	P11712	2/20	0.43

▸	TSHR	P16473	2/20	0.43

▸	HSD17B10	Q99714	2/20	0.43

▸	MEN1	O00255	1/20	0.43

▸	TP53	P04637	1/20	0.43

▸	HPGD	P15428	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	USP1	O94782	4/20	0.43

▸	WDR48	Q8TAF3	4/20	0.43

▸	S1PR1	P21453	1/20	0.41

▸	S1PR3	Q99500	1/20	0.41

▸	P2RY1	P47900	1/20	0.41

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
SCHEMBL12619902	0.87	AURKA (0.53)	ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL802308	0.84	AURKA (0.47)	ALDH1A1CYP1A2CYP3A4KDM4ELMNA
SCHEMBL805546	0.83	IGF1R (0.47)	SRCGSK3B
SCHEMBL801481	0.77	CYP1A2 (0.58)	ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL10266891	0.76	USP1 (0.51)	ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL801666	0.74	AURKA (0.67)	AURKASRCGSK3B
SCHEMBL12619947	0.74	USP1 (0.46)	ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL12620029	0.72	GSK3B (0.46)	CYP1A2CYP3A4AURKASRCGSK3B
SCHEMBL802079	0.72	AURKA (0.57)	ALDH1A1CYP1A2CYP3A4LMNAHSD17B10
SCHEMBL802438	0.71	CYP1A2 (0.41)	ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8633210-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2014-01-21	—	—	US	disclosed
US-8524720-B2	Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2013-09-03	—	—	US	disclosed
US-8524720-B2	Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2013-09-03	—	—	US	disclosed
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2012-03-22	—	—	US	disclosed
US-7951820-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-05-31	—	—	US	disclosed
US-7951820-B2	Triazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2011-05-31	—	—	US	disclosed
US-20100256170-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-10-07	—	—	US	disclosed
US-20100256170-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-10-07	—	—	US	disclosed
US-7691853-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-04-06	—	—	US	disclosed
US-7691853-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2010-04-06	—	—	US	disclosed
US-7473691-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2009-01-06	—	—	US	disclosed
US-7473691-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2009-01-06	—	—	US	disclosed
US-7390815-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-06-24	—	—	US	disclosed
US-7390815-B2	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED (US)	2008-06-24	—	—	US	disclosed
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2007-11-22	—	—	US	disclosed
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	VERTEX PHARMACEUTICALS INCORPORATED	2007-11-22	—	—	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 (3 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-20100256170-A1	PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, CDK3, GSK3A	ALDH1A1 4625/4885CYP1A2 1818/4885CYP3A4 1976/4885
US-20120071657-A1	TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS	GSK3B, GSK3A, CDK19	ALDH1A1 4768/4885CYP1A2 3042/4885CYP3A4 2929/4885
US-20070270444-A1	Pyrazole compounds useful as protein kinase inhibitors	GSK3B, CDK3, GSK3A	ALDH1A1 4625/4885CYP1A2 1818/4885CYP3A4 1976/4885

“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.