SCHEMBL11926301

SCHEMBL11926301

O=C(Nc1ccnc(Cl)c1)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ GRM4 Q14833 3/20 0.46
▸ HTR2A P28223 5/20 0.42
▸ HTR2C P28335 3/20 0.42
▸ KDR P35968 1/20 0.42
▸ BRAF P15056 2/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ KMO O15229 2/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ PPARG P37231 1/20 0.40

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
SCHEMBL11926303 0.89 PPARG (0.46) MTORGRM4BRAFRAF1MAPK14
SCHEMBL11926374 0.87 KDM4E (0.51) PIK3CAGRM4KDRALDH1A1
SCHEMBL430618 0.86 GRM4 (0.49) GRM4BRAFRAF1ALDH1A1
SCHEMBL11926380 0.85 SETD2 (0.47) GRM4KDR
SCHEMBL427105 0.85 KDR (0.52) MTORPIK3CAPIK3CGGRM4KDR
SCHEMBL430651 0.85 TSHR (0.56) PIK3CAPIK3CGGRM4KDRALDH1A1
SCHEMBL3111569 0.85 EPHX2 (0.54) MTORPIK3CAPIK3CGGRM4MAPK14
SCHEMBL11926366 0.85 GRM4 (0.46) GRM4KDRMAPK14
SCHEMBL11926369 0.85 GRM4 (0.47) GRM4HTR2AHTR2CKDR
SCHEMBL428647 0.85 ALDH1A1 (0.50) PIK3CAGRM4KDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US 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-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MTOR 578/4885PIK3CA 2810/4885PIK3CG 1280/4885

“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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