SCHEMBL2729285

SCHEMBL2729285

Cc1ccc(SCF)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 4/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5168911 0.78 NPC1 (0.65) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL19798033 0.78 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL20040862 0.77 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL169195 0.76 SLC6A4 (0.48) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL14303351 0.76 MAOA (0.44) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL20385611 0.74 IDO1 (0.46) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL17446998 0.74 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL9546524 0.74 KMT2A (0.47) NPC1RAB9AMAPTALDH1A1TDP1
SCHEMBL2729179 0.74 RAB9A (0.45) NPC1RAB9AMAPTALDH1A1ACHE
SCHEMBL14666343 0.74 RAB9A (0.45) NPC1RAB9AMAPTALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
EP-2817295-B1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2017-11-01 EP disclosed
EP-2817295-B1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2017-11-01 EP disclosed
EP-2632896-B1 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INT LTD (CH) 2017-03-15 EP disclosed
EP-2632896-B1 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INT LTD (CH) 2017-03-15 EP disclosed
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-01-26 US disclosed
EP-2817295-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2014-12-31 EP disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
US-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses HOVIONE INTER LIMITED (CH) 2013-10-17 US disclosed
EP-2632896-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES Hovione Inter Limited (CH) 2013-09-04 EP disclosed
WO-2013126856-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2013-08-29 WO disclosed
WO-2013126856-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2013-08-29 WO disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP 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-20130274460-A1 Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses RFC2, FH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 3148/4885RAB9A 3349/4885MAPT 4699/4885
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM4, CHRM3 NPC1 3368/4885RAB9A 3019/4885MAPT 507/4885

“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.