SCHEMBL3080778

SCHEMBL3080778

Clc1ncnc(-c2ccccc2Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
AHR P35869 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
MAPK1 P28482 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HSD11B1 P28845 1/20 0.37
DCUN1D1 Q96GG9 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL28514523 0.80 PBRM1 (0.46) PBRM1AHRRAB9ANPC1SMN1; SMN2
SCHEMBL20598763 0.78 NPC1 (0.40) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL28528659 0.78 CYP2A6 (0.42) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL29609448 0.78 RAB9A (0.53) PBRM1AHRRAB9ANPC1SMN1; SMN2
SCHEMBL29025171 0.76 CYP1A2 (0.41) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL581207 0.76 NPC1 (0.41) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL29240236 0.75 CYP2A6 (0.39) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28457966 0.74 PBRM1 (0.47) PBRM1AHRRAB9ANPC1SMN1; SMN2
SCHEMBL19295106 0.74 PIN1 (0.41) MAPK1ALDH1A1L3MBTL1HPGDTDP1
SCHEMBL11916270 0.74 CYP1A2 (0.51) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1

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 PBRM1 1719/4885AHR 59/4885RAB9A 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.