SCHEMBL430112

SCHEMBL430112

Cc1cccc(NN=Cc2nc(OCCN3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
FES P07332 1/20 0.46
FER P16591 1/20 0.46
TYK2 P29597 1/20 0.46
FRK P42685 1/20 0.46
SYK P43405 1/20 0.46
CAMK1D Q8IU85 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
PIKFYVE Q9Y2I7 1/20 0.46
GBA1 P04062 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 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
SCHEMBL430111 1.00 MAPT (0.49) MAPTKDM4ELMNAHPGDTP53
SCHEMBL10196463 0.90 MAPT (0.49) MAPTKDM4ELMNAHPGDTP53
SCHEMBL303479 0.90 MAPT (0.49) MAPTKDM4ELMNAHPGDTP53
SCHEMBL302248 0.89 MAPT (0.51) MAPTKDM4ELMNAHPGDPOLB
SCHEMBL302247 0.89 MAPT (0.51) MAPTKDM4ELMNAHPGDPOLB
SCHEMBL431197 0.88 MAPT (0.44) MAPTKDM4ELMNAHPGDTP53
SCHEMBL10198784 0.88 MAPT (0.44) MAPTKDM4ELMNAHPGDTP53
SCHEMBL429119 0.87 SIGMAR1 (0.45) MAPTKDM4ELMNASYKALDH1A1
SCHEMBL429120 0.87 SIGMAR1 (0.45) MAPTKDM4ELMNASYKALDH1A1
SCHEMBL427341 0.86 MAPT (0.47) MAPTKDM4ELMNAHPGDTP53

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 MAPT 238/4885KDM4E 3825/4885LMNA 3847/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885LMNA 3579/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 MAPT 3534/4885KDM4E 2476/4885LMNA 2478/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885KDM4E 2869/4885LMNA 3835/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885KDM4E 1015/4885LMNA 3579/4885

“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.