SCHEMBL4151968

SCHEMBL4151968

COCCN(C)c1nc(OCCN2CCOCC2)nc(C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NAPEPLD Q6IQ20 3/20 0.40
KMO O15229 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SYK P43405 1/20 0.37
POLB P06746 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
SCHEMBL1602906 0.77 GRM4 (0.39) MEN1KMT2AKDM4EALDH1A1SIGMAR1
SCHEMBL13759280 0.71 SYK (0.41) TSHRKDM4EALDH1A1SIGMAR1SYK
SCHEMBL4159923 0.70 KMO (0.45) KMOMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4151416 0.66 KMO (0.43) KMOMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5490793 0.65 KMO (0.53) KMOMEN1KMT2APIK3CASMN1; SMN2
SCHEMBL3102407 0.65 PIK3CA (0.53) NAPEPLDKMOPIK3CA
SCHEMBL3121609 0.63 PIK3CA (0.44) NAPEPLDKMOMEN1KMT2APIK3CA
SCHEMBL11926408 0.63 KDM4E (0.45) KMOMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL81823 0.63 TDP1 (0.56) MAPK1SMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL13197681 0.63 TDP1 (0.51) MAPK1MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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
WO-2006053109-A1 HETEROARYL 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 (4 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPK1 3184/4885NAPEPLD 3291/4885KMO 4699/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 MAPK1 1764/4885NAPEPLD 2597/4885KMO 856/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPK1 670/4885NAPEPLD 1721/4885KMO 1654/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPK1 3184/4885NAPEPLD 3291/4885KMO 4699/4885

“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.