SCHEMBL2010175

SCHEMBL2010175

C1CN(N2CCNCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CHKA P35790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH1 P35367 1/20 0.36
CXCR4 P61073 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL2918481 0.94 CXCR4 (0.41) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL1258379 0.93 CA2 (0.42) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL1997368 0.90 CXCR4 (0.42) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL3769647 0.90 CXCR4 (0.42) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL336574 0.90 CA2 (0.46) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL2356063 0.89 HIF1A (0.42) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL2918689 0.87 CXCR4 (0.41) CA2CHKAKDM4EHRH1CXCR4
Hydrochloric Acid SCHEMBL28035808 0.87 KDM4E (0.44) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL7052608 0.85 HIF1A (0.50) CA2CHKAKDM4EHRH1CXCR4
SCHEMBL28470549 0.85 HIF1A (0.50) CA2CHKAKDM4EHRH1CXCR4

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
CN-116462679-A Pyrazolopyrimidine derivative and application thereof in medicine 四川海思科制药有限公司 2023-07-21 CN claimed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP claimed
EP-2379525-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD Boehringer Ingelheim International GmbH (DE) 2011-10-26 EP claimed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO claimed
EP-2513086-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2012-10-24 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 US disclosed
EP-1812455-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-08-01 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
WO-2006035301-A2 ERYTHROMYCIN A DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (4 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA CA2 3601/4885CHKA 640/4885KDM4E 3891/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CA2 294/4885CHKA 3895/4885KDM4E 4322/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CA2 126/4885CHKA 4504/4885KDM4E 2853/4885
US-20080318878-A1 Antibacterial Agents MLX, MGAM, CAT CA2 1759/4885CHKA 693/4885KDM4E 3935/4885

“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.