SCHEMBL3118572

SCHEMBL3118572

Cc1[nH]c2ccc(N)cc2c1C.NC(=O)C1CCN(c2cc(C(=O)O)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ NAPEPLD Q6IQ20 3/20 0.38
▸ MTOR P42345 4/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 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
SCHEMBL3114736 0.83 KMO (0.49) TDP1NAPEPLDMTORPIK3CAPIK3CB
SCHEMBL11926331 0.76 GBA1 (0.43) NAPEPLDMTORPIK3CAPIK3CDPIK3CB
SCHEMBL11926322 0.75 RAF1 (0.47) NAPEPLDHSD17B10GBA1ALDH1A1MAPT
SCHEMBL425521 0.75 RAF1 (0.51) LMNAGBA1ALDH1A1MAPTKDM4E
SCHEMBL3105290 0.73 KMT2A (0.51) NAPEPLDPIK3CALMNAPOLBHTT
SCHEMBL1271891 0.72 KMO (0.61) NAPEPLDMTORPIK3CALMNAPOLB
SCHEMBL3118342 0.72 KMO (0.52) NAPEPLDMTORPIK3CALMNAPOLB
SCHEMBL3114692 0.71 RAF1 (0.50) LMNAGBA1MAPTKDM4E
SCHEMBL11926281 0.70 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3CBHSD17B10
SCHEMBL3111833 0.70 RAF1 (0.47) PIK3CAGBA1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed

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-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG SHMT2 1022/4885TDP1 4729/4885NAPEPLD 1303/4885

“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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