SCHEMBL216618

SCHEMBL216618

CN(C(=O)OC(C)(C)C)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PAX8 Q06710 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.38
RIPK1 Q13546 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL28102185 0.79 S1PR4 (0.38) NPC1RAB9ASMN1; SMN2MAPTRIPK1
SCHEMBL13713225 0.77 RIPK1 (0.43) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL10795492 0.77 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL2370238 0.77 GPR119 (0.42) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4596550 0.76 LMNA (0.40) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27391165 0.75 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1694938 0.74 LMNA (0.41) NPC1RAB9ASMN1; SMN2MAPTRIPK1
SCHEMBL3577961 0.74 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTRIPK1
SCHEMBL24391228 0.73 RIPK1 (0.61) MAPTRIPK1ALDH1A1POLBCTSS
SCHEMBL29140328 0.73 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 US disclosed
EP-1567506-A4 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA INC (US) 2007-06-20 EP disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR NPC1 2504/4885RAB9A 1792/4885SMN1; SMN2 4737/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR NPC1 2504/4885RAB9A 1792/4885SMN1; SMN2 4737/4885

“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.