SCHEMBL3075732

SCHEMBL3075732

O=[N+]([O-])c1cccc(-c2ncnc(Cl)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.47
MAPT P10636 6/20 0.46
MAPK1 P28482 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
GRM5 P41594 1/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL27833684 0.81 NPC1 (0.45) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL27682796 0.79 CYP1A2 (0.57) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL1263287 0.78 CYP1A2 (0.55) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL9047230 0.77 ALDH1A1 (0.51) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL824005 0.77 PLK1 (0.61) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL13140866 0.76 ABCG2 (0.59) CYP1A2RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL27740602 0.76 CYP19A1 (0.46) NPC1RAB9AALDH1A1IDO1MAPT
SCHEMBL27743881 0.76 CYP1A2 (0.59) CYP1A2NPC1RAB9AALDH1A1IDO1
SCHEMBL15637445 0.75 PDE4D (0.51) CYP1A2NPC1RAB9AALDH1A1TDP1
SCHEMBL4427261 0.75 NPC1 (0.52) NPC1RAB9AALDH1A1TDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778919-B2 Cyclic anilino—pyridinotriazines JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
CN-101341138-B Cyclic anilino-pyridinotriazines as GSK-3 inhibitors JANSSEN PHARMACEUTICA NV 2012-11-14 CN disclosed
US-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-02 US disclosed
EP-1904461-B1 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-08-12 EP disclosed
CN-101341138-A Cyclic anilino-pyridinotriazines as GSK-3 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-01-07 CN disclosed
EP-1904461-A2 CYCLIC ANILINOPYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-02 EP disclosed
WO-2007003525-A2 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 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 (1 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-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES NR4A1, NR4A2, NR5A2 CYP1A2 68/4885NPC1 1575/4885RAB9A 4414/4885

“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.