SCHEMBL3978381

SCHEMBL3978381

c1ccc2c(On3nnc4cccnc43)ncnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.39
EGFR P00533 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
BRD4 O60885 1/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3978075 0.81 TSHR (0.45) RAB9ATSHRL3MBTL1NPC1LMNA
SCHEMBL3975732 0.81 ALDH1A1 (0.46) RAB9ATSHRL3MBTL1NPC1LMNA
SCHEMBL4369906 0.77 FAAH (0.34) RAB9ATSHRNPC1BRD4
SCHEMBL4366985 0.74 LMNA (0.49) RAB9ATSHRLMNASMN1; SMN2PI4KA
SCHEMBL15363851 0.72 BRD4 (0.47) RAB9ATSHRNPC1LMNAEGFR
SCHEMBL3985258 0.71 FAAH (0.34) PDE4BPDE4D
SCHEMBL798141 0.71 FAAH (0.41) RAB9ANPC1LMNABRD4PDE4B
SCHEMBL3976180 0.69 SYK (0.34) RAB9ANPC1BRD4
SCHEMBL29890284 0.69 FAAH (0.33) RAB9ANPC1BRD4MEN1KMT2A
SCHEMBL15862649 0.68 FAAH (0.39) RAB9ATSHRL3MBTL1NPC1LMNA

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-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
US-7534840-B2 Room temperature-curable organopolysiloxane compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-19 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
US-20070088123-A1 Room temperature-curable organopolysiloxane compositions SHIN-ETSU CHEMICAL CO., LTD. 2007-04-19 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 (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 RAB9A 3568/4885TSHR 1984/4885L3MBTL1 1488/4885

“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.