SCHEMBL19805956

SCHEMBL19805956

CCc1ccc2c(c1)NCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 1/20 0.42
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
NISCH Q9Y2I1 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KIF11 P52732 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL10285459 0.87 PARP1 (0.42) KDM4EGAAMAPTNPC1MEN1
SCHEMBL18844012 0.84 KDM4E (0.61) KDM4EGAAMAPTNPC1MEN1
SCHEMBL16722721 0.79 ESR1 (0.43) KDM4EALDH1A1NISCHADRA2AADRA2B
SCHEMBL19492401 0.78 GABRA1 (0.43) KDM4EGAAMAPTNPC1MEN1
SCHEMBL91440 0.78 SMN1; SMN2 (0.50) PARP1TRPA1NISCHCYP2A6CYP1A2
SCHEMBL395752 0.78 DRD2 (0.53) KDM4EGAAMAPTALDH1A1KIF11
Hydrochloric Acid SCHEMBL1426114 0.76 SMN1; SMN2 (0.49) KDM4EGAAMAPTPARP1TRPA1
SCHEMBL10226464 0.75 KDM4E (0.46) KDM4EGAAMAPTNPC1PARP1
SCHEMBL11924453 0.75 KDM4E (0.43) KDM4EGAAMAPTNPC1PARP1
SCHEMBL5713692 0.75 KDM4E (0.35) KDM4EGAAPARP1TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
WO-2021115489-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
WO-2021114314-A1 NOVEL HETEROCYCLIC DERIVATIVES WITH CARDIOMYOCYTE PROLIFERATION ACTIVITY FOR TREATMENT OF HEART DISEASES TONGJI UNIVERSITY (CN) 2021-06-17 WO disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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 (8 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB KDM4E 1117/4885GAA 910/4885MAPT 2304/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 KDM4E 1101/4885GAA 4612/4885MAPT 458/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885GAA 3287/4885MAPT 4850/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885GAA 3287/4885MAPT 4850/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885GAA 3287/4885MAPT 4850/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 KDM4E 969/4885GAA 2341/4885MAPT 3156/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 KDM4E 1086/4885GAA 4599/4885MAPT 476/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB KDM4E 1117/4885GAA 910/4885MAPT 2304/4885

“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.