SCHEMBL2345378

SCHEMBL2345378

Cc1ncc(Br)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
CYP2A6 P11509 1/20 0.43
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
PRNP P04156 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MAPK10 P53779 1/20 0.35
CYP1A2 P05177 2/20 0.35
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL30020105 1.00 PLAU (0.47) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL19762264 0.77 NPC1 (0.35) CYP2A6ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL1446736 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL7260889 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL639134 0.76 CYP1A2 (0.50) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL29751039 0.76 PLAU (0.50) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL18980400 0.75 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL13945549 0.74 PLAU (0.48) PLAUGPR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL18430900 0.74 PLAU (0.48) PLAUCYP2A6GPR3ALDH1A1SMN1; SMN2
SCHEMBL12930803 0.74 PLAU (0.50) PLAUCYP2A6ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441727-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-10-14 US disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 EP disclosed
CN-117881680-A Tricyclic compounds as KRAS inhibitors 因赛特公司 2024-04-12 CN disclosed
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2023-03-16 US disclosed
US-20230056631-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-02-23 US disclosed
WO-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN disclosed
WO-2011103430-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
CN-1980930-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-13 CN disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (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-12441727-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS PLAU 4249/4885CYP2A6 3542/4885GPR3 3927/4885
US-20230056631-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS PLAU 4177/4885CYP2A6 3464/4885GPR3 3769/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 PLAU 4327/4885CYP2A6 2834/4885GPR3 3774/4885
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PLAU 4527/4885CYP2A6 1608/4885GPR3 3153/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 PLAU 244/4885CYP2A6 901/4885GPR3 712/4885
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS CRBN, IKZF1, IKZF3 PLAU 4327/4885CYP2A6 2834/4885GPR3 3774/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 PLAU 375/4885CYP2A6 1027/4885GPR3 542/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PLAU 4527/4885CYP2A6 1608/4885GPR3 3153/4885

“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.