SCHEMBL2739971

SCHEMBL2739971

Cc1cc(C(=O)NCCCN2CCOCC2)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
CYP2C9 P11712 2/20 0.65
CYP2D6 P10635 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.63
MAPK14 Q16539 1/20 0.61
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HTR1A P08908 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KCNH2 Q12809 1/20 0.59
CD274 Q9NZQ7 1/20 0.59

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
SCHEMBL13405450 0.85 CYP2D6 (0.62) POLBCYP2C9CYP2D6SMN1; SMN2LMNA
SCHEMBL12305581 0.85 SMN1; SMN2 (0.64) POLBCYP2C9CYP2D6SMN1; SMN2LMNA
SCHEMBL10318171 0.84 POLB (0.69) POLBCYP2C9CYP2D6SMN1; SMN2LMNA
SCHEMBL5840749 0.84 POLB (0.69) POLBCYP2C9CYP2D6SMN1; SMN2LMNA
SCHEMBL763452 0.83 HTT (0.78) CYP2C9CYP2D6SMN1; SMN2LMNATSHR
Eprobemide SCHEMBL570896 0.83 ALDH1A1 (0.85) CYP2C9CYP2D6SMN1; SMN2TSHRALDH1A1
SCHEMBL10318170 0.82 CYP2C9 (0.66) POLBCYP2C9CYP2D6SMN1; SMN2TSHR
SCHEMBL14899242 0.82 ALDH1A1 (0.65) POLBCYP2C9CYP2D6SMN1; SMN2LMNA
Eprobemide SCHEMBL10495496 0.82 ALDH1A1 (0.82) SMN1; SMN2TSHRALDH1A1KDM4EMEN1
SCHEMBL14435528 0.82 POLB (1.00) POLBCYP2C9CYP2D6TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 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 (1 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-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 POLB 2380/4885CYP2C9 3041/4885CYP2D6 1099/4885

“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.