SCHEMBL3108442

SCHEMBL3108442

COc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2cccnc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ JAK2 O60674 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 5/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ THRB P10828 1/20 0.44

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
SCHEMBL3093947 0.86 IRAK4 (0.41) TDP1JAK2JAK3PTK2MAPT
SCHEMBL3100509 0.84 MEN1 (0.55) TDP1HTTMAPTLMNATP53
SCHEMBL3098747 0.82 MEN1 (0.55) TDP1HTTMAPTLMNATP53
SCHEMBL3108416 0.82 HTT (0.54) TDP1HTTMAPTLMNATP53
SCHEMBL3097729 0.80 HTT (0.55) TDP1HTTMAPTLMNATP53
SCHEMBL12614718 0.80 HTT (0.59) TDP1HTTMAPTLMNATP53
SCHEMBL3100756 0.80 CARM1 (0.44) JAK2JAK3PTK2MEN1KMT2A
SCHEMBL3098736 0.79 HTT (0.54) TDP1HTTMAPTLMNATP53
SCHEMBL3098004 0.78 HTT (0.53) TDP1HTTMAPTLMNATP53
SCHEMBL17384582 0.74 GPR119 (0.58) TDP1JAK2JAK3PTK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 TDP1 3740/4885JAK2 2919/4885JAK3 3004/4885

“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.

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