SCHEMBL17229334

SCHEMBL17229334

CC(C)Cc1ccc2c(N)nc(Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TARS1 P26639 1/20 0.39
ROCK1 Q13464 4/20 0.37
HSP90AB1 P08238 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
XDH P47989 1/20 0.37
PNMT P11086 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ABL1 P00519 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL17253660 0.83 ROCK1 (0.38) ROCK1IKBKETBK1XDHGABRA1
SCHEMBL17232439 0.82 SMN1; SMN2 (0.44) TARS1ROCK1HSP90AB1KDM4ECYP3A4
SCHEMBL17221600 0.80 ROCK1 (0.57) TARS1ROCK1HSP90AB1PNMT
SCHEMBL13302588 0.76 ROCK1 (0.66) ROCK1
SCHEMBL24808800 0.75 GABRA1 (0.42) IKBKETBK1XDHPNMTGABRA1
SCHEMBL24790742 0.73 KDM4E (0.38) PNMTGABRA1GABRB2HTR2AHTR2C
SCHEMBL28187427 0.73 LMNA (0.44) TARS1KDM4ECYP3A4SMN1; SMN2
SCHEMBL17229344 0.71 ABL1 (0.45) PNMTGABRA1GABRB2HTR2AHTR2C
SCHEMBL24146531 0.70 ROCK1 (0.41) ROCK1PNMTGABRA1GABRB2KDM4E
SCHEMBL20193924 0.70 PI4KA (0.44) TARS1IKBKETBK1GABRA1GABRB2

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 2 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
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 TARS1 237/4885ROCK1 2334/4885HSP90AB1 4232/4885

“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.