SCHEMBL460446

SCHEMBL460446

Cc1[nH]c2ccc(NN=Cc3cc(N4CCOCC4)nc(OCC(C)(C)O)n3)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
FES P07332 1/20 0.37
FER P16591 1/20 0.37
TYK2 P29597 1/20 0.37
FRK P42685 1/20 0.37
SYK P43405 1/20 0.37
CAMK1D Q8IU85 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
MAPT P10636 6/20 0.36
GAA P10253 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL460445 1.00 ATR (0.38) ATRATRIPALDH1A1KDM4EL3MBTL1
SCHEMBL304256 0.88 FES (0.40) ALDH1A1KDM4EL3MBTL1FESFER
SCHEMBL10198796 0.88 FES (0.40) ALDH1A1KDM4EL3MBTL1FESFER
SCHEMBL426405 0.87 MAPT (0.42) ALDH1A1KDM4EL3MBTL1MAPTGAA
SCHEMBL430570 0.87 MAPT (0.41) ATRATRIPALDH1A1KDM4EL3MBTL1
SCHEMBL426406 0.87 MAPT (0.42) ALDH1A1KDM4EL3MBTL1MAPTGAA
SCHEMBL430571 0.87 MAPT (0.41) ATRATRIPALDH1A1KDM4EL3MBTL1
SCHEMBL302648 0.86 MAPT (0.41) ALDH1A1KDM4EL3MBTL1MAPTGAA
SCHEMBL302647 0.86 MAPT (0.41) ALDH1A1KDM4EL3MBTL1MAPTGAA
SCHEMBL302186 0.85 AKT1 (0.40) ALDH1A1KDM4EL3MBTL1FESFER

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 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-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 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 (5 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 ATR 4882/4885ATRIP 4870/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885ALDH1A1 3468/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 ATR 4363/4885ATRIP 3915/4885ALDH1A1 2084/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ATR 4830/4885ATRIP 4176/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885ALDH1A1 3468/4885

“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.