SCHEMBL3516703

SCHEMBL3516703

Clc1ccc(C2=N[N]C=C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AHR P35869 1/20 0.34
NOTUM Q6P988 4/20 0.34
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34
KDM4E B2RXH2 3/20 0.33
IKBKB O14920 1/20 0.33
MAP3K14 Q99558 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPA1 P27694 1/20 0.33
METAP2 P50579 1/20 0.33
GCGR P47871 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3590067 0.76 RAB9A (0.38) LMNANPC1RAB9ANOTUMPOLB
SCHEMBL2764416 0.76 TDP1 (0.38) LMNACYP2A6NPC1RAB9ANOTUM
SCHEMBL9465254 0.73 MKNK1 (0.41)
SCHEMBL9467462 0.73 CNR2 (0.37) NPC1RAB9AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL1436626 0.71 CA12 (0.46) LMNANPC1RAB9AKDM4EL3MBTL1
SCHEMBL6028317 0.70 PIM1 (0.49) LMNATP53TSHRSMN1; SMN2HSD17B10
SCHEMBL9465257 0.67 CYP2A6 (0.41) CYP2A6
SCHEMBL293609 0.67 CYP2A6 (0.41) LMNACYP2A6NPC1RAB9ANOTUM
SCHEMBL9465377 0.67 LPL (0.33) CYP1A2LMNAKDM4EHSD17B10
SCHEMBL28215 0.66 CYP1A2 (0.73) CYP1A2LMNACYP2A6NPC1RAB9A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
CN-101528748-A Imidazopyridazines as PI3K lipid kinase inhibitors NOVARTIS AG (CH) 2009-09-09 CN claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
CN-1699347-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2005-11-23 CN disclosed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN disclosed
CN-1134418-C Substituted pyrazolyl benzenesulfonamides for treating inflammation - 2004-01-14 CN disclosed
CN-1127484-C Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2003-11-12 CN disclosed
CN-1280125-A Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN 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 (6 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-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 CYP1A2 144/4885LMNA 2300/4885CYP2A6 264/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB CYP1A2 774/4885LMNA 3641/4885CYP2A6 1031/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP1A2 144/4885LMNA 2300/4885CYP2A6 264/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885

“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.