SCHEMBL21297480

SCHEMBL21297480

CC(S)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.33
SOS1 Q07889 3/20 0.33
PDE2A O00408 1/20 0.33
CXCR2 P25025 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32
RAET1L Q5VY80 1/20 0.32
SCN9A Q15858 1/20 0.32
AKT1 P31749 1/20 0.31
KRAS P01116 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL22065471 0.87 TACR1 (0.40) TACR1PDE2AIDO1TDO2
SCHEMBL8127537 0.83 PDE2A (0.35) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL21216527 0.80 CES2 (0.37) IDO1TDO2
SCHEMBL1295467 0.80 TACR1 (0.33) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL6819089 0.80 TACR1 (0.43) TACR1SOS1PDE2AIDO1TDO2
SCHEMBL25429733 0.80 RXRA (0.35) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL16958699 0.80 TACR1 (0.33) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL17069190 0.80 PDE2A (0.37) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL1295024 0.80 PDE2A (0.41) TACR1SOS1PDE2ACXCR2RXRA
SCHEMBL4229656 0.80 TACR1 (0.43) TACR1SOS1PDE2AIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 TACR1 4797/4885SOS1 2299/4885PDE2A 2813/4885

“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.