SCHEMBL5017116

SCHEMBL5017116

COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.63
SRD5A1 P18405 1/20 0.63
FLT3 P36888 1/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
XDH P47989 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
LMNA P02545 2/20 0.44

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
SCHEMBL22616634 0.89 KDM4E (0.59) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL29493188 0.89 KDM4E (0.59) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL1978230 0.88 SRD5A2 (0.72) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL29493184 0.88 SRD5A2 (0.72) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL5829229 0.87 SRD5A2 (0.82) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL7159304 0.87 SRD5A2 (0.82) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL187450 0.85 SRD5A2 (0.64) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL4810145 0.82 SRD5A2 (0.58) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL8985887 0.80 POLB (0.47) SRD5A2SRD5A1FLT3HPGDKDM4E
SCHEMBL8406972 0.80 FLT3 (0.70) SRD5A2SRD5A1FLT3HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer LES LABORATOIRES SERVIER (FR) 2026-03-10 US disclosed
CN-114450284-B 6, 7-Dihydro-5H-pyrido [2,3-C ] pyridazine derivatives as BCL-XL protein inhibitors 法国施维雅药厂 2024-05-07 CN disclosed
EP-4003989-B1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER SERVIER LAB (FR) 2023-12-27 EP disclosed
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER VERNALIS (R&D) LTD (GB) 2022-11-17 US disclosed
EP-4003989-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
CN-114450284-A 6, 7-dihydro-5H-pyrido [2,3-C ] pyridazine derivatives and related compounds as BCL-XL protein inhibitors and pro-apoptotic agents for the treatment of cancer 法国施维雅药厂 2022-05-06 CN disclosed
WO-2021018858-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER LES LABORATOIRES SERVIER (FR) 2021-02-04 WO disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
CN-1972926-B Indole derivatives as histamine receptor antagonists HOFFMANN LA ROCHE 2011-02-16 CN disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
EP-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
CN-1972926-A Indole derivatives as histamine receptor antagonists HOFFMANN LA ROCHE (CH) 2007-05-30 CN disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 US 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 (7 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SRD5A2 1174/4885SRD5A1 1469/4885FLT3 2615/4885
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT SRD5A2 1263/4885SRD5A1 1447/4885FLT3 2912/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SRD5A2 1174/4885SRD5A1 1469/4885FLT3 2615/4885
US-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 SRD5A2 1171/4885SRD5A1 1113/4885FLT3 656/4885
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer BCOR, BCL2A1, BAK1 SRD5A2 383/4885SRD5A1 246/4885FLT3 3256/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SRD5A2 1174/4885SRD5A1 1469/4885FLT3 2615/4885
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER BAK1, BCL2, BCL2A1 SRD5A2 961/4885SRD5A1 848/4885FLT3 3178/4885

“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.