SCHEMBL1063203

SCHEMBL1063203

Cc1cc2cccnc2c(N2CCCN(C(=O)OC(C)(C)C)CC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR119 Q8TDV5 3/20 0.42
ACHE P22303 2/20 0.41
MAP4K4 O95819 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
DTYMK P23919 1/20 0.40
KIT P10721 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL12986163 0.83 CKS1B (0.45) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL2358714 0.82 CKS1B (0.42) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL7521558 0.80 CKS1B (0.54) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL1065862 0.78 CKS1B (0.51) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL1063937 0.78 CKS1B (0.48) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL13437111 0.76 HTR1A (0.52) CKS1BSKP1SKP2POLBGPR119
SCHEMBL1048457 0.75 POLB (0.55) CKS1BSKP1SKP2POLBGPR119
SCHEMBL27340911 0.75 GPR119 (0.70) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL3624074 0.74 KIT (0.49) CKS1BSKP1SKP2PDE10APOLB
SCHEMBL13437110 0.74 HTR1A (0.56) CKS1BSKP1SKP2POLBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
EP-2349273-A1 MODULATORS OF CXCR7 ChemoCentryx, Inc. (US) 2011-08-03 EP disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CKS1B 2914/4885SKP1 3038/4885SKP2 4201/4885
US-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CKS1B 2914/4885SKP1 3038/4885SKP2 4201/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CKS1B 2914/4885SKP1 3038/4885SKP2 4201/4885

“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.