SCHEMBL25946321

SCHEMBL25946321

COc1cc(C(C)C)nc(Br)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 0.34
SLC10A2 Q12908 1/20 0.34
TRPV3 Q8NET8 1/20 0.32
PGK1 P00558 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MC4R P32245 1/20 0.32
P2RX3 P56373 3/20 0.31
P2RX2 Q9UBL9 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL15431040 0.80 CYP3A4 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25928065 0.76 NOS3 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL15431033 0.75 TRPV3 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18611232 0.72 NQO2 (0.37) SLC10A2MC4RALDH1A1MAPT
SCHEMBL25928622 0.71 HSD17B10 (0.36) CYP3A4PGK1POLBALDH1A1PRNP
SCHEMBL25938595 0.69 FEN1 (0.35) NOS3NOS1NOS2
SCHEMBL25928077 0.68 NOS3 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL27439444 0.68 SLC10A2 (0.39) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL21859435 0.67 P2RX3 (0.41) GAAP2RX3P2RX2ALDH1A1
SCHEMBL16133968 0.67 GAA (0.34) POLBGAAGFERPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (2 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP3A4 57/4885CYP2D6 100/4885TSHR 1662/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP3A4 57/4885CYP2D6 100/4885TSHR 1662/4885

“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.