SCHEMBL10162016

SCHEMBL10162016

CCc1ccc(-c2cncnc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.46
CYP2C19 P33261 7/20 0.46
CYP2D6 P10635 6/20 0.46
CYP2C9 P11712 5/20 0.46
CYP2B6 P20813 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2E1 P05181 5/20 0.46
CYP1A2 P05177 2/20 0.45
RORC P51449 1/20 0.43
PRKCI P41743 1/20 0.42
CYP2C8 P10632 1/20 0.40
SLC5A2 P31639 1/20 0.39
GRIN2B Q13224 6/20 0.38
PTGS2 P35354 1/20 0.37
GRIN1 Q05586 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10162003 0.81 CYP2A6 (0.70) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL27398576 0.81 CYP2A6 (0.69) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL10130683 0.80 RORC (0.49) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL13699162 0.80 RORC (0.44) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL20388926 0.78 PRKCI (0.66) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL12531212 0.78 HSD17B1 (0.43) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL13420010 0.77 CYP2A6 (0.47) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL25165536 0.77 ATM (0.44) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL13621245 0.76 DPP4 (0.41) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL12951370 0.75 MAPT (0.39) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 WO disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (9 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2D6 12/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2D6 12/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2D6 12/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 CYP2A6 150/4885CYP2C19 4/4885CYP2D6 61/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CYP2A6 42/4885CYP2C19 27/4885CYP2D6 8/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 CYP2A6 11/4885CYP2C19 2/4885CYP2D6 3/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 CYP2A6 130/4885CYP2C19 11/4885CYP2D6 113/4885
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GCGR CYP2A6 1694/4885CYP2C19 1221/4885CYP2D6 1963/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2D6 12/4885

“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.