SCHEMBL5259772

SCHEMBL5259772

N#Cc1cnc2ccncc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP17A1 P05093 1/20 0.41
CDC7 O00311 2/20 0.40
HTT P42858 2/20 0.40
CHUK O15111 1/20 0.38
EGFR P00533 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP19A1 P11511 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 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
SCHEMBL27893482 0.98 HPGDS (0.47) HPGDSCYP11B2CYP11B1CYP17A1CDC7
Trifluoroacetic Acid SCHEMBL30365424 0.85 GPR6 (0.40) HPGDSCYP11B2CYP11B1DYRK1A
SCHEMBL5118002 0.85 HPGDS (0.53) HPGDSCYP11B2CYP11B1CYP17A1CDC7
Isoquinoline SCHEMBL27659278 0.84 PDGFRB (0.47) HPGDSCYP11B2CYP11B1CYP17A1HTT
SCHEMBL28292066 0.84 HPGDS (0.51) HPGDSCYP11B2CYP11B1CYP17A1CDC7
SCHEMBL2012640 0.81 EGFR (0.38) HPGDSHTTEGFRCSNK1DCSNK1E
SCHEMBL27856310 0.81 HDAC8 (0.43) HTTEGFRCSNK1DCSNK1ECLK1
SCHEMBL30853054 0.78 EGFR (0.55) HPGDSCYP11B2CYP11B1CYP17A1CDC7
SCHEMBL30618089 0.78 EGFR (0.55) HPGDSCYP11B2CYP11B1CYP17A1CDC7
SCHEMBL3393275 0.78 EGFR (0.55) HPGDSCYP11B2CYP11B1CYP17A1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP claimed
WO-2012142498-A2 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS, INC. (US) 2012-10-18 WO claimed
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US claimed
EP-4541794-A1 PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUNDS, AND PREPARATION AND USE THEREOF Suzhong Pharmaceutical Group Co., Ltd. (CN) 2025-04-23 EP disclosed
WO-2025011008-A1 PHARMACEUTICAL PREPARATION CONTAINING PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUND, AND USE THEREOF 苏中药业集团股份有限公司 2025-01-16 WO disclosed
WO-2024061333-A1 KRAS MUTANT PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 甘李药业股份有限公司 2024-03-28 WO disclosed
WO-2024022481-A1 PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUNDS, AND PREPARATION AND USE THEREOF 苏中药业集团股份有限公司 2024-02-01 WO disclosed
WO-2023138583-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-27 WO disclosed
WO-2022116943-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF 上海瑛派药业有限公司 2022-06-09 WO disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 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 (2 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-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PTGS2, PTGES2, PTGS1 HPGDS 10/4885CYP11B2 412/4885CYP11B1 1006/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 HPGDS 2403/4885CYP11B2 3302/4885CYP11B1 2866/4885

“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.