SCHEMBL17229282

SCHEMBL17229282

Cc1cc(CC(C)C)cnc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CPB1 P15086 3/20 0.32
CPB2 Q96IY4 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR52 Q9Y2T5 1/20 0.30

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
SCHEMBL12169267 0.82 GABRA1 (0.32) CPB2GABRA1GABRB2
SCHEMBL17229260 0.80 CYP2A6 (0.34) S1PR1S1PR3CPB1CPB2GABRA1
SCHEMBL21503556 0.78 NR1H2 (0.32) S1PR1S1PR3CPB1CPB2GABRA1
SCHEMBL9970964 0.78 NOS3 (0.35) NOS3NOS1NOS2KDM4EGPR52
SCHEMBL12450282 0.77 VRK1 (0.36) CPB2GABRA1GABRB2NOS3NOS1
SCHEMBL26138262 0.77 S1PR1 (0.33) S1PR1S1PR3CPB1CPB2GABRA1
SCHEMBL17229261 0.77 ALDH1A1 (0.34) S1PR1S1PR3CPB1CPB2SMN1; SMN2
SCHEMBL21503527 0.77 PDE4B (0.38) S1PR1
SCHEMBL8490451 0.76 CYP2A6 (0.38) POLBGPR52
SCHEMBL21278154 0.76 LOXL2 (0.39) NOS3NOS1NOS2GPR52

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 S1PR1 1539/4885S1PR3 979/4885CPB1 3168/4885

“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.