SCHEMBL1041933

SCHEMBL1041933

O=C(CBr)Nc1cncc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.41
GRM5 P41594 1/20 0.40
CSF1R P07333 9/20 0.36
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FRK P42685 1/20 0.34
DDR1 Q08345 1/20 0.34

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
SCHEMBL1428882 0.79 RAB9A (0.39) GRM5CHRM3ALDH1A1GAAMAPT
SCHEMBL5170655 0.78 CDK2 (0.50) CDK2GRM5CSF1RALDH1A1GAA
SCHEMBL6284192 0.77 PTK2 (0.49) CDK2GRM5CSF1RALDH1A1
SCHEMBL16062260 0.76 DEGS1 (0.54) CDK2MEN1KMT2A
SCHEMBL6208080 0.73 PIK3CA (0.47)
SCHEMBL23089548 0.72 HPGD (0.51) CSF1RHPGDMEN1KMT2A
SCHEMBL14163519 0.72 CHRM3 (0.49) CDK2GRM5CSF1RCHRM3RET
SCHEMBL1040074 0.71 NOTUM (0.51) GAAMAPTMEN1KMT2A
SCHEMBL21765658 0.71 TSHR (0.43) ALDH1A1GAATDP1MEN1KMT2A
SCHEMBL1040807 0.70 GAA (0.46) ALDH1A1GAAMAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
CN-101535306-B Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB 2012-09-12 CN disclosed
US-8207193-B2 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2012-06-26 US disclosed
EP-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed
EP-2094694-B1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-01-26 EP disclosed
EP-2256117-A1 Quiniclidine derivatives of (hetero) arylcycloheptanecarboxylic acid as muscarinic receptor antagonists AstraZeneca AB (SE) 2010-12-01 EP disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
CN-101610813-A Quinuclidinol derivatives as muscarinic receptor antagonist ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
CN-101535306-A Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2009-09-16 CN disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 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-20100029713-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CDK2 557/4885GRM5 352/4885CSF1R 432/4885
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CDK2 856/4885GRM5 227/4885CSF1R 236/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CDK2 610/4885GRM5 338/4885CSF1R 393/4885

“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.