SCHEMBL4307201

SCHEMBL4307201

Cc1nn(-c2ccc(C#N)cc2)c(C)c1COc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.54
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC34A1 Q06495 4/20 0.42
P2RX7 Q99572 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR3C1 P04150 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4238429 0.91 AR (0.52) ARMEN1KMT2ASLC34A1P2RX7
SCHEMBL4237717 0.88 AR (0.56) ARMEN1KMT2ASLC34A1P2RX7
SCHEMBL4239516 0.87 AR (0.58) ARSLC34A1P2RX7RAB9ALMNA
SCHEMBL4234790 0.86 AR (0.61) AR
SCHEMBL4233150 0.83 AR (0.60) ARMEN1KMT2ASLC34A1NPC1
SCHEMBL4240080 0.83 AR (0.50) ARMEN1KMT2ASLC34A1P2RX7
SCHEMBL4232172 0.82 AR (0.54) ARMEN1KMT2ASLC34A1MAPT
SCHEMBL4311052 0.82 AR (0.49) ARSLC34A1P2RX7NPC1RAB9A
SCHEMBL4299551 0.81 AR (0.47) ARSLC34A1P2RX7LMNAMAPT
SCHEMBL4237455 0.81 AR (0.52) ARMEN1KMT2ASLC34A1NPC1

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-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

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 AR 622/4885MEN1 2774/4885KMT2A 3457/4885

“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.