SCHEMBL4233402

SCHEMBL4233402

Cc1nn(-c2ccc(C#N)cc2)c(C)c1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 6/20 0.54
AR P10275 1/20 0.48
PDE4D Q08499 3/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NR3C1 P04150 1/20 0.43
NPC1 O15118 2/20 0.41
P2RY12 Q9H244 1/20 0.41
FPR1 P21462 1/20 0.41

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
SCHEMBL4239759 0.82 SLC34A1 (0.51) SLC34A1ARPDE4DMAPTRAB9A
SCHEMBL2937866 0.80 RAB9A (0.64) PDE4DMAPTRAB9ANPSR1MEN1
SCHEMBL4227556 0.80 AR (0.58) AR
SCHEMBL4239222 0.80 AR (0.58) SLC34A1ARPDE4DMEN1POLB
SCHEMBL20075148 0.75 SLC34A1 (0.53) SLC34A1ARRAB9AMEN1KMT2A
SCHEMBL27500737 0.74 TSHR (0.42) SLC34A1MAPTNPSR1KMT2A
SCHEMBL20037190 0.74 SMN1; SMN2 (0.62) SLC34A1ARPDE4DMAPT
SCHEMBL4241325 0.74 AR (0.53) SLC34A1ARMAPTMEN1POLB
SCHEMBL4236666 0.74 AR (0.64) SLC34A1ARRAB9AMEN1KMT2A
SCHEMBL20037206 0.73 ALDH1A1 (0.57) SLC34A1ARRAB9ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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 (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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 SLC34A1 1375/4885AR 622/4885PDE4D 3785/4885

“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.