SCHEMBL3978075

SCHEMBL3978075

c1ccc2c(On3nnc4ccccc43)ncnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
EGFR P00533 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
SLC9A1 P19634 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
SCHEMBL3978381 0.81 RAB9A (0.41) TSHRRAB9AKMT2ANPC1L3MBTL1
SCHEMBL15363851 0.81 BRD4 (0.47) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL4364470 0.81 RAB9A (0.60) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL7429617 0.77 SIRT2 (0.49) TSHRRAB9AKMT2ANPC1HPGD
SCHEMBL3983251 0.76 TSHR (0.49) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL23950081 0.75 KMT2A (0.39) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL13265430 0.74 ADORA2A (0.39) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL24121779 0.72 TSHR (0.37) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL12204539 0.72 TSHR (0.56) TSHRNPSR1RXFP1RAB9AKMT2A
SCHEMBL12720500 0.72 TSHR (0.54) TSHRNPSR1RXFP1RAB9AKMT2A

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 TSHR 1984/4885NPSR1 2329/4885RXFP1 4268/4885

“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.