SCHEMBL3488053

SCHEMBL3488053

Cc1nn(Cc2ccccn2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.52
GRIN1 Q05586 8/20 0.50
GRIN2B Q13224 8/20 0.50
P2RX7 Q99572 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK3 Q9Y572 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 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
SCHEMBL3488270 0.82 PGR (0.49) NR3C2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3489982 0.80 SLC2A1 (0.54) NR3C2TP53
SCHEMBL3489954 0.79 MAPT (0.39) NR3C2GRIN1GRIN2BALDH1A1
SCHEMBL3488787 0.78 NR3C2 (0.50) NR3C2P2RX7RIPK3KDM4E
SCHEMBL3489611 0.77 MAPT (0.52) NR3C2NPC1KDM4EALDH1A1
SCHEMBL3489593 0.77 PGR (0.53) NR3C2GRIN1GRIN2BP2RX7LMNA
SCHEMBL3489690 0.77 GRIN2B (0.55) NR3C2GRIN1GRIN2BNPC1TP53
SCHEMBL3488088 0.76 SLC2A1 (0.50) NR3C2LMNARAB9ANPC1TP53
SCHEMBL3488754 0.75 L3MBTL1 (0.47) NR3C2LMNARAB9ANPC1TP53
SCHEMBL3488206 0.74 GRIN1 (0.52) NR3C2GRIN1GRIN2BP2RX7SMN1; SMN2

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 NR3C2 1/4885GRIN1 778/4885GRIN2B 965/4885

“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.