SCHEMBL10160925

SCHEMBL10160925

CCc1ccc(-n2cc(C#N)cn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.49
KCNJ1 P48048 1/20 0.44
CYP2A6 P11509 1/20 0.43
RET P07949 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.39
PDE10A Q9Y233 1/20 0.36
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35
ALKBH1 Q13686 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL18013728 0.85 EGLN1 (0.49) EGLN1KCNJ1RETKDM4EALDH1A1
SCHEMBL17966650 0.85 EGLN1 (0.49) EGLN1KCNJ1RETKDM4EALDH1A1
SCHEMBL10130933 0.85 EGLN1 (0.46) EGLN1KCNJ1RETKDM4EALDH1A1
SCHEMBL30175338 0.78 EGLN1 (0.43) EGLN1RETKDM4EALDH1A1L3MBTL1
SCHEMBL10161895 0.78 EGLN1 (0.43) EGLN1RETKDM4EALDH1A1L3MBTL1
SCHEMBL17966638 0.78 EGLN1 (0.54) EGLN1KCNJ1RETALKBH1
SCHEMBL13514061 0.77 EGLN1 (0.39) EGLN1KDM4EL3MBTL1
SCHEMBL10161808 0.77 EGLN1 (0.39) EGLN1KDM4EL3MBTL1
SCHEMBL21745145 0.77 EGLN1 (0.39) EGLN1RETKDM4EL3MBTL1
SCHEMBL19797763 0.77 EGLN1 (0.39) EGLN1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 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
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP 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-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US 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-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 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 (8 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 EGLN1 533/4885KCNJ1 284/4885CYP2A6 22/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 EGLN1 533/4885KCNJ1 284/4885CYP2A6 22/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 EGLN1 533/4885KCNJ1 284/4885CYP2A6 22/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 EGLN1 1360/4885KCNJ1 982/4885CYP2A6 150/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 EGLN1 1040/4885KCNJ1 1697/4885CYP2A6 11/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 EGLN1 1806/4885KCNJ1 1193/4885CYP2A6 130/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 EGLN1 533/4885KCNJ1 284/4885CYP2A6 22/4885
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS RET, MECP2, RB1 EGLN1 1871/4885KCNJ1 4695/4885CYP2A6 4518/4885

“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.