SCHEMBL3114692

SCHEMBL3114692

Cc1[nH]c2ccc(NC(=O)c3cc(N4CCN(C)CC4)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 10/20 0.50
▸ BRAF P15056 10/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ HTR1B P28222 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL425521 0.95 RAF1 (0.51) RAF1BRAFMAPTLMNAKDM4E
SCHEMBL3111833 0.91 RAF1 (0.47) RAF1BRAFMAPTKDM4EGBA1
SCHEMBL11926283 0.91 RAF1 (0.47) RAF1BRAFKDM4EGBA1
SCHEMBL11926322 0.90 RAF1 (0.47) RAF1BRAFMAPTKDM4EGBA1
SCHEMBL11926275 0.89 RAD52 (0.46) RAF1BRAFMAPTKDM4EGBA1
SCHEMBL11926321 0.88 GAA (0.48) RAF1BRAFMAPTLMNAKDM4E
SCHEMBL1271438 0.87 RAF1 (0.45) RAF1BRAFMAPTKDM4EGBA1
SCHEMBL3103022 0.87 KMT2A (0.46) RAF1BRAFNPSR1MAPTLMNA
SCHEMBL3108474 0.87 RAF1 (0.46) RAF1BRAFMAPTLMNAKDM4E
SCHEMBL1271164 0.85 GBA1 (0.47) RAF1BRAFMAPTLMNAKDM4E

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 RAF1 2782/4885BRAF 2713/4885NPSR1 1657/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG RAF1 2782/4885BRAF 2713/4885NPSR1 1657/4885

“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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