SCHEMBL21101077

SCHEMBL21101077

CN(C)c1c(C(=O)O)cnc2c(-c3cc(Cl)cc(Cl)c3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.42
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
ACLY P53396 2/20 0.38
CTSA P10619 2/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
CNR2 P34972 2/20 0.35
NUDT1 P36639 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
DHODH Q02127 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL29440739 1.00 HAVCR2 (0.42) HAVCR2PRKAG1PRKAA1PRKAB1ACLY
Hydrochloric Acid SCHEMBL30853500 0.99 HAVCR2 (0.41) HAVCR2PRKAG1PRKAA1PRKAB1ACLY
Hydrochloric Acid SCHEMBL28436307 0.99 HAVCR2 (0.41) HAVCR2PRKAG1PRKAA1PRKAB1ACLY
SCHEMBL21101258 0.92 CTSA (0.37) HAVCR2PRKAG1PRKAA1PRKAB1CTSA
SCHEMBL22118244 0.86 ATF1 (0.38) CTSAGPBAR1CNR2NUDT1CYP3A4
SCHEMBL21101402 0.86 KMT2A (0.44) HAVCR2CYP3A4CYP2C8CYP2C9DHODH
SCHEMBL29643212 0.85 GPBAR1 (0.41) HAVCR2ACLYCTSARXRARXRB
SCHEMBL20702326 0.85 MEN1 (0.47)
SCHEMBL20139032 0.84 HAVCR2 (0.47) HAVCR2RXRARXRBCNR2CYP3A4
SCHEMBL30071148 0.84 HAVCR2 (0.47) HAVCR2RXRARXRBCNR2CYP3A4

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-12448391-B2 Bicyclic derivatives for treating endoparasites ELANCO TIERGESUNDHEIT AG (CH) 2025-10-21 US disclosed
US-20240360116-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (SZ) 2024-10-31 US disclosed
CN-116888124-A Bicyclic derivatives 礼蓝动物保健有限公司 2023-10-13 CN disclosed
US-20220242857-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2022-08-04 US disclosed
CN-114206860-A Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2022-03-18 CN disclosed
US-20200385398-A1 NEW BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG 2020-12-10 US disclosed
WO-2020247747-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2020-12-10 WO disclosed
US-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-01 US disclosed
CN-111448192-A Process for preparing anthelmintic 4-amino-quinoline-3-carboxamide derivatives 拜耳动物保健有限责任公司 2020-07-24 CN disclosed
WO-2019115768-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-06-20 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 (5 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-12448391-B2 Bicyclic derivatives for treating endoparasites TBXA2R, PIGS, CYCS HAVCR2 3986/4885PRKAG1 4083/4885PRKAA1 2990/4885
US-20240360116-A1 BICYCLIC DERIVATIVES FABP3, CYCS, TNNI3 HAVCR2 3319/4885PRKAG1 4667/4885PRKAA1 4038/4885
US-20220242857-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES TBXA2R, PIGS, CYCS HAVCR2 3986/4885PRKAG1 4083/4885PRKAA1 2990/4885
US-20200385398-A1 NEW BICYCLIC DERIVATIVES CYCS, FABP3, TNNI3 HAVCR2 3886/4885PRKAG1 4597/4885PRKAA1 3876/4885
US-20200308153-A1 PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 HAVCR2 3900/4885PRKAG1 3411/4885PRKAA1 3199/4885

“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.