SCHEMBL20667407

SCHEMBL20667407

CC(C)c1cc(CC(C)c2cncc(CC(C)c3ccncc3)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.38
▸ CDK2 P24941 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL22844051 0.90 NR3C2 (0.43) NR3C2CDK2ESR1ESR2KCNH2
SCHEMBL26364364 0.90 NR3C2 (0.35) NR3C2
SCHEMBL21076611 0.83 ESR1 (0.37) NR3C2ESR1ESR2KCNH2
SCHEMBL18683654 0.82 NR3C2 (0.46) NR3C2ESR1ESR2
SCHEMBL20694181 0.80 NR3C2 (0.42) NR3C2KCNH2
SCHEMBL19227962 0.79 NR3C2 (0.56) NR3C2ESR1ESR2
SCHEMBL22426189 0.77 CYP1A2 (0.37) NR3C2ESR1ESR2KCNH2
SCHEMBL22639289 0.75 ESR1 (0.36) NR3C2ESR1ESR2KCNH2
SCHEMBL21085218 0.73 ALDH1A1 (0.33) NR3C2ESR1ESR2
SCHEMBL18402921 0.73 ESR1 (0.44) NR3C2CDK2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 — — US disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 — — US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 — — US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20190225804-A1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2019-07-25 — — US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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 (7 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 NR3C2 980/4885CDK2 2150/4885ESR1 3527/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 NR3C2 1263/4885CDK2 319/4885ESR1 1898/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 NR3C2 1005/4885CDK2 2396/4885ESR1 3430/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 NR3C2 1263/4885CDK2 319/4885ESR1 1898/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR NR3C2 3101/4885CDK2 94/4885ESR1 2721/4885
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 NR3C2 102/4885CDK2 3236/4885ESR1 774/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR NR3C2 3101/4885CDK2 94/4885ESR1 2721/4885

“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.

Send feedback