SCHEMBL21679252

SCHEMBL21679252

CCOC(=O)c1nc(Cl)nc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CYP1A2 P05177 2/20 0.42
TARBP2 Q15633 2/20 0.42
GLP1R P43220 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KDM5B Q9UGL1 2/20 0.41
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27029927 0.86 KDM5B (0.46) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL16398391 0.86 ALDH1A1 (0.43) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL21064527 0.83 NPC1 (0.41) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL16095119 0.81 NPSR1 (0.50) ALDH1A1MAPTNPC1NPSR1HSD17B10
SCHEMBL15147550 0.80 CYP1A2 (0.44) ALDH1A1MAPTNPC1NPSR1CYP1A2
SCHEMBL3637105 0.79 KDM4E (0.53) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL30641345 0.76 ALDH1A1 (0.47) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL16505254 0.76 ALDH1A1 (0.47) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL9943790 0.76 NPC1 (0.44) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL2743309 0.75 ALDH1A1 (0.43) ALDH1A1MAPTNPC1TP53XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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 (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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP ALDH1A1 1223/4885MAPT 4190/4885NPC1 1218/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 ALDH1A1 1247/4885MAPT 4307/4885NPC1 830/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP ALDH1A1 1223/4885MAPT 4190/4885NPC1 1218/4885

“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.