SCHEMBL3488038

SCHEMBL3488038

Cc1nn(CCN2CCOCC2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
P2RX7 Q99572 1/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL3488750 0.80 PGR (0.47) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488809 0.80 ALDH1A1 (0.39) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488535 0.79 CDC7 (0.45) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3489344 0.79 ALDH1A1 (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488964 0.79 MAPK14 (0.42) MAPK14P2RX7ALDH1A1MAPT
SCHEMBL3488055 0.79 SLC2A1 (0.39) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3488293 0.78 NR3C2 (0.39) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3489968 0.78 NR3C2 (0.48) ALDH1A1MAPT
SCHEMBL3488574 0.77 PTGS2 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL3489611 0.77 MAPT (0.52) MAPK14ALDH1A1KDM4ETSHRNPC1

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 MAPK14 646/4885MAPK13 334/4885MAPK12 521/4885

“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.