SCHEMBL7117449

SCHEMBL7117449

Cc1nc(-c2ccncc2)sc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 2/20 0.43
GSK3B P49841 2/20 0.43
GRK5 P34947 1/20 0.43
GSK3A P49840 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7061676 0.91 ALDH1A1 (0.56) MAPTPOLBCNR1ALDH1A1HPGD
SCHEMBL7062340 0.89 SMN1; SMN2 (0.58) MAPTPOLBCNR1ALDH1A1HPGD
SCHEMBL7125439 0.83 KDM4E (0.59) MAPTPOLBCNR1ALDH1A1HPGD
SCHEMBL7219903 0.81 HSD11B1 (0.55) CNR1SMN1; SMN2GAANPC1
SCHEMBL7530755 0.80 CHRNA7 (0.54) MAPTPOLBCDC7DBF4CHRNA7
SCHEMBL7063591 0.80 CHRNA7 (0.46) CDC7DBF4ROCK1GSK3BGSK3A
SCHEMBL7122337 0.80 CHRNA7 (0.54) MAPTPOLBCDC7DBF4CHRNA7
Hydrochloric Acid SCHEMBL7123494 0.79 CHRNA7 (0.53) MAPTPOLBCDC7DBF4CHRNA7
SCHEMBL7064071 0.78 CHRNA7 (0.56) CHRNB2CHRNA7CHRNA4
SCHEMBL7116124 0.77 USP30 (0.43) ROCK1CHRNB2CHRNA7CHRNA4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US claimed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP claimed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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 (3 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-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 MAPT 1250/4885POLB 637/4885CDC7 2744/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 MAPT 1546/4885POLB 344/4885CDC7 334/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 MAPT 1250/4885POLB 637/4885CDC7 2744/4885

“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.