SCHEMBL3117274

SCHEMBL3117274

COC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL11926407 0.88 CASP7 (0.46) CASP7CASP6ALDH1A1GAAKDM4E
SCHEMBL3106043 0.87 KMO (0.46) SMN1; SMN2KMT2ACASP7CASP6ALDH1A1
SCHEMBL3232359 0.86 HTT (0.52) SMN1; SMN2KMT2ACASP7CASP6ALDH1A1
SCHEMBL31705334 0.83 ALDH1A1 (0.49) SMN1; SMN2KMT2AALDH1A1GAAKDM4E
SCHEMBL11926370 0.83 RAB9A (0.53) SMN1; SMN2KMT2ACASP7CASP6ALDH1A1
SCHEMBL3114681 0.82 AKT1 (0.45) SMN1; SMN2KMT2AALDH1A1HSD17B10PIK3CA
SCHEMBL430618 0.81 GRM4 (0.49) ALDH1A1MAPK1
SCHEMBL430042 0.81 FLT3 (0.46) SMN1; SMN2KMT2ACASP7CASP6ALDH1A1
SCHEMBL13439759 0.81 KMT2A (0.41) SMN1; SMN2KMT2ACASP7CASP6ALDH1A1
SCHEMBL3121609 0.81 PIK3CA (0.44) SMN1; SMN2KMT2AALDH1A1GAAKDM4E

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-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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO 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 SMN1; SMN2 4828/4885KMT2A 3672/4885CASP7 870/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG SMN1; SMN2 4828/4885KMT2A 3672/4885CASP7 870/4885

“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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