SCHEMBL5118002

SCHEMBL5118002

N#Cc1cnc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.53
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 2/20 0.41
CDC7 O00311 2/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CHUK O15111 1/20 0.38
HTT P42858 1/20 0.38
PIP4K2A P48426 1/20 0.38
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
MAP4K4 O95819 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL28292066 0.98 HPGDS (0.51) HPGDSCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL5259772 0.85 HPGDS (0.49) HPGDSCYP11B2CYP11B1CYP17A1CYP19A1
Isoquinoline SCHEMBL27659278 0.84 PDGFRB (0.47) HPGDSCYP11B2CYP11B1CYP17A1NCOA3
SCHEMBL27893482 0.84 HPGDS (0.47) HPGDSCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL2012088 0.81 HPGDS (0.36) HPGDSNCOA3HTTMAP4K4PDGFRB
Water SCHEMBL27871202 0.77 ALDH1A1 (0.57) HPGDSPDGFRBPDGFRA
SCHEMBL29788946 0.77 ALDH1A1 (0.57) HPGDSPDGFRBPDGFRA
SCHEMBL63442 0.77 ALDH1A1 (0.57) HPGDSPDGFRBPDGFRA
Methane SCHEMBL28479303 0.76 ALDH1A1 (0.56) HPGDSPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL28189040 0.76 ALDH1A1 (0.56) HPGDSPDGFRBPDGFRA

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 28 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
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
CN-115583946-A Heterocyclic compounds and their use as CDK inhibitors 赛诺哈勃药业(成都)有限公司 2023-01-10 CN disclosed
CN-111471059-B PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-12-02 CN disclosed
US-20220313700-A1 METHODS FOR TREATING MAP3K8 POSITIVE CANCERS CELL RESPONSE, INC. 2022-10-06 US disclosed
CN-109575016-A PDE9 inhibitors and uses thereof 南京药捷安康生物科技有限公司 2019-04-05 CN disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP disclosed
WO-2012142498-A2 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS, INC. (US) 2012-10-18 WO 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-20220313700-A1 METHODS FOR TREATING MAP3K8 POSITIVE CANCERS MAP3K8, MAP2K7, DDIT3 HPGDS 2998/4885CYP11B2 3696/4885CYP11B1 3653/4885
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.