SCHEMBL21682003

SCHEMBL21682003

COc1ccc(CNc2nc3cc(I)ccc3cc2Br)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.47
CYP3A4 P08684 15/20 0.47
CYP2C19 P33261 15/20 0.47
TSHR P16473 14/20 0.47
CYP2D6 P10635 13/20 0.47
HSD17B10 Q99714 10/20 0.47
LMNA P02545 8/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 12/20 0.46
USP2 O75604 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALOX15 P16050 5/20 0.46
APLNR P35414 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 9/20 0.46
CLK4 Q9HAZ1 5/20 0.46

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
SCHEMBL18571730 0.84 MEN1 (0.44) HSD17B10MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31123781 0.78 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL21682074 0.78 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30908317 0.75 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL789612 0.74 MEN1 (0.44) HSD17B10MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30908144 0.74 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL31511351 0.74 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30908447 0.72 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30908321 0.72 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL30908690 0.72 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3833355-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-16 EP disclosed
CN-112805006-A PRMT5 inhibitor 默沙东公司 2021-05-14 CN disclosed
WO-2020033288-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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 (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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 CYP1A2 1814/4885CYP3A4 1162/4885CYP2C19 703/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 CYP1A2 1814/4885CYP3A4 1162/4885CYP2C19 703/4885

“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.