SCHEMBL3106380

SCHEMBL3106380

O=C(Nc1ccc2[nH]ccc2c1)Nc1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.44
PRKCQ Q04759 1/20 0.44
HTR2A P28223 6/20 0.43
HTR2C P28335 6/20 0.43
MTOR P42345 3/20 0.43
BRAF P15056 1/20 0.42
MAPK14 Q16539 1/20 0.42
FLT3 P36888 1/20 0.41
EPHX2 P34913 3/20 0.41
LTA4H P09960 1/20 0.41
RET P07949 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
SCHEMBL3111685 0.85 MTOR (0.49) HTR2AHTR2CMTORBRAFMAPK14
SCHEMBL426838 0.84 MTOR (0.56) HTR2AHTR2CMTORBRAFMAPK14
SCHEMBL430172 0.84 EPHX2 (0.57) HTR2AHTR2CMTORBRAFMAPK14
SCHEMBL428867 0.84 CYP3A4 (0.56) MTOREPHX2
SCHEMBL3116358 0.84 FLT3 (0.43) JAK1HTR2AHTR2CMTORBRAF
SCHEMBL3115513 0.83 HSD17B10 (0.43) HTR2AHTR2CMTORBRAFMAPK14
SCHEMBL3105854 0.83 MAPT (0.44) JAK1HTR2AHTR2CMTORBRAF
SCHEMBL428259 0.82 TSHR (0.52) HTR2AHTR2CBRAFFLT3EPHX2
SCHEMBL3111433 0.82 EPHX2 (0.48) HTR2AHTR2CMTORFLT3EPHX2
SCHEMBL3115015 0.82 EPHX2 (0.48) HTR2AHTR2CMTOREPHX2

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 12 patents. 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
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
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-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-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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 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 (2 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG JAK1 150/4885PRKCQ 579/4885HTR2A 1871/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG JAK1 150/4885PRKCQ 579/4885HTR2A 1871/4885

“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.