SCHEMBL10022334

SCHEMBL10022334

CC(C)c1csc(-c2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2A6 P11509 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2B6 P20813 1/20 0.64
CYP19A1 P11511 6/20 0.61
AXL P30530 1/20 0.61
PBRM1 Q86U86 1/20 0.61
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
KDM4E B2RXH2 4/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 2/20 0.54
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19143426 0.84 CYP19A1 (0.61) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7033226 0.84 CYP19A1 (0.57) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL62767 0.81 SREBF2 (0.50) CYP19A1KDM4ERAB9AALDH1A1NPC1
SCHEMBL10022359 0.81 KDM4E (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL12191860 0.80 CYP2E1 (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL266591 0.78 CYP2E1 (1.00) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL6719948 0.77 CYP2E1 (0.59) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL12604330 0.77 CYP2E1 (0.59) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL11390656 0.77 CYP2E1 (0.97) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL6196239 0.76 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 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 (6 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CYP2E1 4043/4885CYP3A4 1228/4885CYP2A6 3880/4885
US-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 CYP2E1 192/4885CYP3A4 322/4885CYP2A6 98/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 CYP2E1 4043/4885CYP3A4 1228/4885CYP2A6 3880/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2E1 2215/4885CYP3A4 2495/4885CYP2A6 2613/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 CYP2E1 1612/4885CYP3A4 1785/4885CYP2A6 2505/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 CYP2E1 4043/4885CYP3A4 1228/4885CYP2A6 3880/4885

“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.