SCHEMBL19320358

SCHEMBL19320358

COc1ccc(CNc2ncnc3[nH]cc(Br)c23)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.52
CYP3A4 P08684 18/20 0.52
CYP2C19 P33261 18/20 0.52
CYP2D6 P10635 16/20 0.52
TSHR P16473 14/20 0.52
ALDH1A1 P00352 11/20 0.52
CLK4 Q9HAZ1 11/20 0.52
HSD17B10 Q99714 10/20 0.52
CYP2C9 P11712 8/20 0.52
MAPK1 P28482 5/20 0.52
LMNA P02545 8/20 0.51
HIF1A Q16665 4/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 7/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL29970935 0.88 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL23283349 0.88 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL29805343 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL23273972 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL15904872 0.83 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL29772253 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31301703 0.80 STK4 (0.60) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30642226 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24399767 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30402020 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372040-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-11-24 US disclosed
CN-115279756-A METTL3 modulators 埃克森特治疗公司 2022-11-01 CN disclosed
EP-4048670-A1 METTL3 MODULATORS Accent Therapeutics, Inc. (US) 2022-08-31 EP disclosed
WO-2021081211-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2021-04-29 WO disclosed
WO-2021081211-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2021-04-29 WO disclosed
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 EP disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 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-20220372040-A1 METTL3 MODULATORS METTL3, METTL16, METTL14 CYP1A2 1036/4885CYP3A4 426/4885CYP2C19 1902/4885
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP CYP1A2 45/4885CYP3A4 89/4885CYP2C19 34/4885

“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.