SCHEMBL3975732

SCHEMBL3975732

c1cnc2c(c1)nnn2Oc1ncnc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 5/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
MRGPRX1 Q96LB2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 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
SCHEMBL4364470 0.82 RAB9A (0.60) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL3978381 0.81 RAB9A (0.41) RAB9ALMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4369906 0.72 FAAH (0.34) RAB9ANPC1TSHR
SCHEMBL3977837 0.69 MKNK2 (0.52) HPGD
SCHEMBL29890284 0.67 FAAH (0.33) RAB9ANPC1KDM4E
SCHEMBL3985258 0.67 FAAH (0.34) DAPK3MAP4K4PIM1PRKACAFLT3
SCHEMBL798141 0.66 FAAH (0.41) RAB9ALMNANPC1PDGFRB
SCHEMBL15862647 0.66 FAAH (0.39) RAB9ALMNANPC1TSHRMAPK1
SCHEMBL23937935 0.64 RAB9A (0.71) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL3976180 0.64 SYK (0.34) RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885RAB9A 3568/4885LMNA 1994/4885

“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.