SCHEMBL4087930

SCHEMBL4087930

N#Cc1cccc(Oc2ncnc3sccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MRGPRX1 Q96LB2 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 3/20 0.49
KDR P35968 4/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
MAP4K4 O95819 1/20 0.43
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
NCOA1 Q15788 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KMT2A Q03164 1/20 0.39

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
SCHEMBL3977779 0.79 ALDH1A1 (0.72) RAB9AALDH1A1LMNASMN1; SMN2MRGPRX1
SCHEMBL3975728 0.75 RAB9A (0.52) RAB9AALDH1A1LMNASMN1; SMN2MRGPRX1
SCHEMBL21611356 0.71 MAP4K4 (0.50) RAB9ALMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8379001 0.70 PDE4A (0.54) MAP4K4TSHR
SCHEMBL27839327 0.68 PDE4A (0.53) ALDH1A1SMN1; SMN2MAP4K4TSHRKMT2A
SCHEMBL6579300 0.68 MAP4K4 (0.62) MAP4K4TSHR
SCHEMBL17162801 0.68 DRD1 (0.47)
SCHEMBL3230901 0.67 PDE4A (0.41) MAP4K4HSD17B10KMT2AGAA
SCHEMBL11379468 0.67 CYP19A1 (0.43) RAB9AALDH1A1CYP1A2CYP2C19MAP4K4
SCHEMBL10923033 0.67 PDE4A (0.55) ALDH1A1SMN1; SMN2MAP4K4KMT2AGAA

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
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO 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 RAB9A 3568/4885ALDH1A1 1591/4885LMNA 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.