SCHEMBL3280882

SCHEMBL3280882

COc1ccc(CC(=O)CC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
F2RL1 P55085 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CTBP2 P56545 1/20 0.51
PKM P14618 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
EPHX2 P34913 1/20 0.50
KLK7 P49862 1/20 0.49
RAB9A P51151 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
SCHEMBL3628705 0.86 HTT (0.68) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL5431221 0.85 HTT (0.62) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL10577487 0.85 HTT (0.62) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL48525 0.84 HTT (0.66) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL28709451 0.84 HTT (0.66) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL10583239 0.84 HTT (0.61) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL8623716 0.84 HTT (0.56) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL6290388 0.83 HTT (0.59) HTTF2RL1SMN1; SMN2KDM4EPOLB
SCHEMBL19520499 0.82 F2RL1 (0.83) F2RL1SMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL3175977 0.81 HTT (0.61) HTTF2RL1SMN1; SMN2KDM4EPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705151-B2 1,6 Naphthridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7678911-B2 1,6 naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20090171089-A1 1,6 NAPHTHRIDINES USEFUL AS INHIBITORS OF SYK KINASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20080114024-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE CYWIN CHARLES L 2008-05-15 US disclosed
US-7321041-B2 1,6 Naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
WO-2003057695-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-17 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 (4 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-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK HTT 4715/4885F2RL1 565/4885SMN1; SMN2 4216/4885
US-20080114024-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE SYK, IRAK1, IRAK3 HTT 4619/4885F2RL1 373/4885SMN1; SMN2 3685/4885
US-20090171089-A1 1,6 NAPHTHRIDINES USEFUL AS INHIBITORS OF SYK KINASE SYK, IRAK1, IRAK3 HTT 4685/4885F2RL1 338/4885SMN1; SMN2 3739/4885
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK HTT 4715/4885F2RL1 565/4885SMN1; SMN2 4216/4885

“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.