SCHEMBL3489183

SCHEMBL3489183

Cc1nn(C)c(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PDE2A O00408 2/20 0.44
MEN1 O00255 2/20 0.42
CRHR1 P34998 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ATM Q13315 1/20 0.41
CNR1 P21554 2/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM5 P41594 1/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL3489306 0.85 MAPT (0.44) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL3489083 0.82 SLC34A1 (0.45) SMN1; SMN2MAPTGRM5HTTKDM4E
SCHEMBL14996603 0.81 CNR1 (0.48) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL4158211 0.81 MAPT (0.49) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL12859317 0.79 PDE2A (0.42) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL3488391 0.78 GRM5 (0.42) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL12871872 0.76 CRHR1 (0.46) KMT2ANPC1RAB9APDE2ACRHR1
SCHEMBL14996602 0.74 CNR1 (0.48) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL5254957 0.73 PDE2A (0.49) MAPTKMT2ANPC1PDE2AMEN1
SCHEMBL31051187 0.72 PAX8 (0.43) KMT2AL3MBTL1MEN1GRM5TDP2

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 SMN1; SMN2 3919/4885MAPT 2903/4885KMT2A 2289/4885

“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.