SCHEMBL3108474

SCHEMBL3108474

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
BRAF P15056 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
NPC1 O15118 1/20 0.42
GBA1 P04062 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41

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 0.92 KMT2A (0.46) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL425521 0.91 RAF1 (0.51) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL3109324 0.90 ALDH1A1 (0.47) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL3113688 0.90 MAPT (0.48) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL3121338 0.89 ALDH1A1 (0.43) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL427735 0.89 RAB9A (0.46) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL6079602 0.89 RAF1 (0.46) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL3114692 0.87 RAF1 (0.50) RAF1BRAFKDM4EMAPTSMN1; SMN2
SCHEMBL3114282 0.87 THRB (0.45) RAF1BRAFALDH1A1L3MBTL1KDM4E
SCHEMBL3114749 0.86 RAB9A (0.42) RAF1BRAFALDH1A1L3MBTL1KDM4E

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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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 RAF1 2782/4885BRAF 2713/4885ALDH1A1 1381/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG RAF1 2782/4885BRAF 2713/4885ALDH1A1 1381/4885

“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.