SCHEMBL17221502

SCHEMBL17221502

CC(=Nc1ccc(Cl)cn1)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.58
ADRA2B P18089 10/20 0.58
ADRA2C P18825 10/20 0.58
PLAU P00749 3/20 0.58
PTK2 Q05397 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL17221501 1.00 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUPTK2
SCHEMBL31600623 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL619591 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL619590 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1354527 0.75 NOS3 (0.39) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL1354526 0.75 NOS3 (0.39) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL2493594 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9A
SCHEMBL2493593 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9A
SCHEMBL15562694 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9A
SCHEMBL16909561 0.71 MKNK1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH ADRA2A 1327/4885ADRA2B 1212/4885ADRA2C 516/4885

“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.