SCHEMBL17229291

SCHEMBL17229291

Cc1ccc(C#N)c(CC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AR P10275 11/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR1 O14842 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL22861975 0.85 S1PR1 (0.39) MAOAMAOBPDE3BPDE3APKM
SCHEMBL31667447 0.81 AR (0.41) MAOAMAOBARPDE3BPDE3A
SCHEMBL12021472 0.80 MAOA (0.39) MAOAMAOBAR
SCHEMBL13019667 0.80 GABRA1 (0.41) MAOAMAOBARTSHRMAPK1
SCHEMBL18419802 0.80 NOS2 (0.51) NOS1NOS2
SCHEMBL8237072 0.79 AR (0.42) ARPDE3BPDE3APKMTSHR
SCHEMBL14012452 0.77 GAA (0.49) MAOBARNOS2
SCHEMBL24786214 0.77 AR (0.41) ARPDE3BPDE3APKMFFAR1
SCHEMBL21872614 0.77 AR (0.42) ARPDE3BPDE3APKMTSHR
SCHEMBL16954724 0.77 AR (0.41) MAOAARPDE3BPDE3APKM

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 MAOA 1416/4885MAOB 1474/4885AR 4282/4885

“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.