SCHEMBL430591

SCHEMBL430591

COc1ccc2c(c1)C(=NNc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TYK2 P29597 2/20 0.40
SYK P43405 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
FES P07332 1/20 0.40
FER P16591 1/20 0.40
FRK P42685 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
BRSK1 Q8TDC3 1/20 0.39
PTPN1 P18031 1/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL10198948 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL430590 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL429378 0.95 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL10198827 0.95 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL429379 0.95 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL431319 0.93 TSHR (0.41) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL10196897 0.93 TSHR (0.41) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL431320 0.93 TSHR (0.41) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL424611 0.90 SYK (0.46) ALDH1A1KDM4EHPGDL3MBTL1TYK2
SCHEMBL10197263 0.90 SYK (0.46) ALDH1A1KDM4EHPGDL3MBTL1TYK2

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-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US claimed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US claimed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US claimed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US claimed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 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 (6 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 ALDH1A1 1903/4885KDM4E 3825/4885HPGD 424/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ALDH1A1 3468/4885KDM4E 1015/4885HPGD 4288/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 ALDH1A1 1007/4885KDM4E 3767/4885HPGD 51/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 ALDH1A1 1007/4885KDM4E 3767/4885HPGD 51/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ALDH1A1 747/4885KDM4E 2869/4885HPGD 768/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ALDH1A1 3468/4885KDM4E 1015/4885HPGD 4288/4885

“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.