SCHEMBL109888

SCHEMBL109888

COc1ncc(-c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
GPR119 Q8TDV5 6/20 0.52
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
BACE1 P56817 2/20 0.47
TP53 P04637 1/20 0.46
PIK3CA P42336 1/20 0.46
KIT P10721 1/20 0.45
PTPN11 Q06124 1/20 0.45
PDK2 Q15119 1/20 0.44
AKT1 P31749 1/20 0.44
RET P07949 1/20 0.44
GBA1 P04062 1/20 0.44
ACHE P22303 1/20 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
SCHEMBL20818663 0.83 CKS1B (0.58) CKS1BSKP1SKP2GPR119SMARCA2
SCHEMBL20293532 0.81 GPR119 (0.57) CKS1BSKP1SKP2GPR119SMARCA2
SCHEMBL26683764 0.80 GPR119 (0.60) CKS1BSKP1SKP2GPR119
SCHEMBL6253535 0.78 GPR119 (0.53) CKS1BSKP1SKP2GPR119SMARCA2
SCHEMBL6266142 0.77 SMARCA2 (0.49) CKS1BSKP1SKP2GPR119SMARCA2
SCHEMBL16520803 0.77 SCN9A (0.64) GPR119
SCHEMBL246627 0.76 TSHR (0.63) TP53
SCHEMBL162487 0.76 ALDH1A1 (0.57)
SCHEMBL20293629 0.76 PTPN11 (0.55) CKS1BSKP1SKP2GPR119SMARCA2
SCHEMBL113953 0.75 HTR7 (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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 (1 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CKS1B 1275/4885SKP1 3488/4885SKP2 2528/4885

“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.