SCHEMBL1260084

SCHEMBL1260084

N#CCC(=O)Nc1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.52
MAPK10 P53779 1/20 0.52
KCNH2 Q12809 1/20 0.52
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL21973108 0.84 GAA (0.63) KMT2AMEN1HTTTSHRMAPK10
SCHEMBL1260318 0.83 CYP1A2 (0.50) KMT2AMEN1HTTHSD17B10CYP1A2
SCHEMBL8650426 0.82 HTT (0.61) KMT2AMEN1HTTHSD17B10CYP1A2
SCHEMBL8623425 0.81 HSD17B10 (0.63) KMT2AMEN1HTTHSD17B10CYP1A2
SCHEMBL11421956 0.81 HTT (0.59) KMT2AHTTHSD17B10CYP1A2CYP2C19
SCHEMBL8996041 0.81 MAPT (0.59) KMT2AMEN1HTTHSD17B10CYP1A2
SCHEMBL14517868 0.81 HSD17B10 (0.59) KMT2AMEN1HTTHSD17B10CYP1A2
SCHEMBL5364771 0.80 MAPT (0.65) KMT2AMEN1HTTHSD17B10RAB9A
SCHEMBL7647093 0.80 MEN1 (0.79) KMT2AMEN1HTTTSHRRAB9A
SCHEMBL7968814 0.80 MEN1 (0.79) KMT2AMEN1TSHRRAB9AHPGD

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-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 KMT2A 650/4885MEN1 1116/4885HTT 3703/4885

“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.