SCHEMBL3114282

SCHEMBL3114282

Cc1[nH]c2ccc(NC(=O)c3cc(CN4CCOCC4)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LRRK2 Q5S007 1/20 0.42
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.39
EGFR P00533 1/20 0.39
CDK2 P24941 1/20 0.39
RAB9A P51151 1/20 0.39
TERT O14746 1/20 0.39

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
SCHEMBL3103022 0.87 KMT2A (0.46) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL3108474 0.87 RAF1 (0.46) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL425521 0.86 RAF1 (0.51) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL3109324 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL3113688 0.85 MAPT (0.48) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL426551 0.84 GRM4 (0.46) ALDH1A1KDM4EL3MBTL1LRRK2RAF1
SCHEMBL3121338 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL6079602 0.84 RAF1 (0.46) ALDH1A1KDM4EL3MBTL1LRRK2RAF1
SCHEMBL427735 0.84 RAB9A (0.46) ALDH1A1KDM4EL3MBTL1RAF1BRAF
SCHEMBL11926278 0.83 GBA1 (0.47) ALDH1A1KDM4EL3MBTL1RAF1BRAF

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 14 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
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 THRB 2683/4885ALDH1A1 1381/4885KDM4E 3666/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG THRB 2683/4885ALDH1A1 1381/4885KDM4E 3666/4885

“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.