SCHEMBL3100756

SCHEMBL3100756

COc1ccc(-n2nc(C3CCNCC3)cc2-c2cccnc2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ HTR1A P08908 6/20 0.41
▸ SLC6A2 P23975 6/20 0.41
▸ SLC6A4 P31645 6/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KHK P50053 3/20 0.37
▸ PLAT P00750 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ NMT1 P30419 1/20 0.36

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 0.81 IRAK4 (0.41) JAK2JAK3PTK2KCNJ6KCNJ3
SCHEMBL3100346 0.81 MEN1 (0.52) MEN1KMT2AKCNJ6KCNJ3PLAT
SCHEMBL3097657 0.81 MAPT (0.42) MEN1KMT2AKCNJ6KCNJ3KCNJ5
SCHEMBL3108442 0.80 TDP1 (0.52) JAK2JAK3PTK2MEN1KMT2A
SCHEMBL3093919 0.78 KCNJ6 (0.50) MEN1KMT2AKCNJ6KCNJ3KCNJ5
SCHEMBL3093815 0.78 MAPT (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3104892 0.78 MEN1 (0.45) HTR1AMEN1KMT2AKCNJ6KCNJ3
SCHEMBL3096791 0.78 MEN1 (0.48) MEN1KMT2A
SCHEMBL13993244 0.75 MEN1 (0.42) HTR1AMEN1KMT2AKCNJ6KCNJ3
SCHEMBL3093801 0.75 MEN1 (0.46) MEN1KMT2AKCNJ6KCNJ3PLAT

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 CARM1 3222/4885JAK2 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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