SCHEMBL2127201

SCHEMBL2127201

O=c1nc(-c2cc(Cl)ccc2F)[nH]c2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKD1 Q15139 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CCNB2 O95067 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
GSK3B P49841 4/20 0.38
CCNB3 Q8WWL7 4/20 0.38
GSK3A P49840 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
PTGES O14684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GRM4 Q14833 2/20 0.35
APEX1 P27695 1/20 0.35
SLC40A1 Q9NP59 2/20 0.35
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 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
SCHEMBL2127006 0.85 AMY1A (0.43) TGFBR1CCNB2CDK1CCNB1GSK3B
SCHEMBL2127203 0.78 PRKD3 (0.47) TGFBR1PRKD3PRKD1PRKD2PTGES
SCHEMBL2125635 0.78 IDO1 (0.47) GSK3BPTGES
SCHEMBL2130089 0.72 MGAM (0.47) GSK3BPIM1
SCHEMBL2128318 0.67 KDM4E (0.53) CYP1A2CYP3A4KMO
SCHEMBL4152308 0.66 GSK3B (0.45) PRKD3PRKD2CDK1GSK3BGSK3A
SCHEMBL12424812 0.66 ADORA2A (0.58)
SCHEMBL2128130 0.65 IP6K1 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL2128866 0.65 CYP2A6 (0.42) TGFBR1CCNB2CDK1CCNB1GSK3B
SCHEMBL3841205 0.64 APEX1 (0.35) TGFBR1PTGESCYP1A2CYP3A4APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciences Ireland Unlimited Company (IE) 2016-06-09 US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 US disclosed
US-9290502-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
EP-1881834-B1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN R & D IRELAND (IE) 2012-04-25 EP disclosed
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-18 US disclosed
EP-1881834-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-01-30 EP disclosed
WO-2006120251-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 WO 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 (4 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-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885

“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.