SCHEMBL15718995

SCHEMBL15718995

COc1ccc(CNCC2CCC(O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.54
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CHRM2 P08172 1/20 0.49
DPP7 Q9UHL4 2/20 0.48
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL15718994 1.00 CXCR4 (0.54) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL17182961 1.00 CXCR4 (0.54) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL31305922 0.94 CXCR4 (0.59) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL27091329 0.87 CHRM2 (0.53) CXCR4KMT2AALDH1A1CHRM2DPP7
SCHEMBL29336471 0.86 HTT (0.62) CXCR4KMT2AALDH1A1CHRM2DPP7
SCHEMBL353907 0.83 CXCR4 (0.53) CXCR4KMT2AALDH1A1CHRM2DPP7
SCHEMBL24291613 0.81 ALDH1A1 (0.62) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL22023702 0.80 HRH3 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL11941096 0.78 CXCR4 (0.47) CXCR4JAK2JAK1TYK2JAK3
SCHEMBL7330860 0.78 CXCR4 (0.61) CXCR4JAK2JAK1TYK2JAK3

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
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
US-10106545-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2018-10-23 US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 US disclosed
EP-2920181-A1 PYRAZOLOPYRIMIDINE COMPOUNDS University Health Network (UHN) (CA) 2015-09-23 EP disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
WO-2014075168-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2014-05-22 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 (5 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-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD CXCR4 2873/4885JAK2 143/4885JAK1 108/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD CXCR4 2873/4885JAK2 143/4885JAK1 108/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD CXCR4 3067/4885JAK2 186/4885JAK1 275/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD CXCR4 3067/4885JAK2 186/4885JAK1 275/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD CXCR4 3067/4885JAK2 186/4885JAK1 275/4885

“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.