SCHEMBL3077601

SCHEMBL3077601

Fc1cccc2sc(Br)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.67
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
ALDH1A1 P00352 8/20 0.67
GAA P10253 8/20 0.67
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
HPGD P15428 7/20 0.67
KDM4E B2RXH2 7/20 0.67
LMNA P02545 6/20 0.67
PRNP P04156 1/20 0.67
MAPT P10636 6/20 0.62
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL5892826 0.81 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL3258678 0.78 MAPT (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7698118 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL102844 0.78 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL9260123 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL2634141 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL2623678 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL7216401 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL23290649 0.77 RAB9A (0.74) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL2136794 0.77 ALDH1A1 (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1GAA

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-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
CN-110452235-B Fluorine-containing isoxazole compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP disclosed
CN-103443099-B Regulate composition and the method for FXR NOVARTIS AG (CH) 2016-03-23 CN disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO disclosed
CN-103443099-A Compositions and methods for modulating FXR IRM LLC 2013-12-11 CN disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2009005460-A1 SMALL MOLECULE INHIBITORS OF NAVL.7 SODIUM CHANNELS FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 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 (5 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 SMN1; SMN2 3957/4885RAB9A 748/4885NPC1 2194/4885
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 SMN1; SMN2 2164/4885RAB9A 3446/4885NPC1 1286/4885
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A SMN1; SMN2 4635/4885RAB9A 2842/4885NPC1 3745/4885
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 SMN1; SMN2 2163/4885RAB9A 3388/4885NPC1 1890/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 SMN1; SMN2 3957/4885RAB9A 748/4885NPC1 2194/4885

“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.