SCHEMBL21987969

SCHEMBL21987969

CC(C)(C)OC(=O)NCc1cc(Cl)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
GAA P10253 1/20 0.46
DDR1 Q08345 2/20 0.44
KDM4A O75164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
DRD2 P14416 2/20 0.41
NOS2 P35228 1/20 0.40

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
SCHEMBL21987982 0.89 IDO1 (0.51) IDO1GAADDR1KDM4AALDH1A1
SCHEMBL6921464 0.86 IDO1 (0.50) IDO1GAADDR1KDM4AALDH1A1
SCHEMBL27988801 0.86 IDO1 (0.53) IDO1GAADDR1KDM4AALDH1A1
SCHEMBL29350331 0.86 KDM4A (0.45) IDO1KDM4AKCNA5
SCHEMBL12330489 0.86 KDM4A (0.45) IDO1KDM4AKCNA5
SCHEMBL711731 0.85 IDO1 (0.50) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL3734185 0.84 ANO1 (0.51) IDO1GAAKDM4AALDH1A1HPGD
SCHEMBL2443309 0.83 GRM2 (0.44) DDR1KDM4AKCNA5
SCHEMBL4757294 0.83 GAA (0.49) IDO1GAADDR1KDM4AALDH1A1
SCHEMBL29793580 0.83 GAA (0.49) IDO1GAADDR1KDM4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 US disclosed
EP-3468963-B1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2021-10-27 EP disclosed
CN-109311851-B Dihydro pyrimidinyl benzazepine carboxamide compounds 豪夫迈·罗氏有限公司 2021-08-10 CN disclosed
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2021-06-29 US disclosed
US-20200172513-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-06-04 US disclosed
CN-109311851-A Dihydropyrimidinylbenzazepine carboxamide compounds 豪夫迈·罗氏有限公司 2019-02-05 CN 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 (3 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-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES HAVCR2, ENTPD5, HMGB3 IDO1 177/4885GAA 3346/4885DDR1 3481/4885
US-20200172513-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS TLR8, TLR1, TLR5 IDO1 275/4885GAA 3743/4885DDR1 862/4885
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds TLR8, TLR1, TLR5 IDO1 275/4885GAA 3743/4885DDR1 862/4885

“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.