SCHEMBL21282889

SCHEMBL21282889

CC(C)c1cncc(-n2ccnn2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.60
KEAP1 Q14145 1/20 0.39
CYP19A1 P11511 1/20 0.36
CHEK1 O14757 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
USP1 O94782 1/20 0.32

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
SCHEMBL14961834 0.82 NOTUM (0.68) NOTUMKEAP1CYP19A1KDM5B
SCHEMBL29800355 0.82 NOTUM (0.53) NOTUMKEAP1CYP19A1CHEK1
SCHEMBL20153305 0.77 NOTUM (0.56) NOTUMKEAP1CYP19A1
SCHEMBL15362397 0.77 NOTUM (0.65) NOTUMKEAP1
SCHEMBL21282981 0.77 KDM4E (0.44) NOTUMKDM5BUSP1
SCHEMBL12794021 0.75 NOTUM (1.00) NOTUMKEAP1CYP19A1KDM5BUSP1
SCHEMBL14909951 0.74 NOTUM (0.46) NOTUMKEAP1
SCHEMBL31157076 0.74 NOTUM (0.46) NOTUMKEAP1CYP19A1CHEK1
SCHEMBL27978021 0.74 NOTUM (0.46) NOTUMKEAP1CYP19A1CHEK1
SCHEMBL25820283 0.73 RXRA (0.39) NOTUM

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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 NOTUM 3696/4885KEAP1 3759/4885CYP19A1 1825/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 NOTUM 4507/4885KEAP1 3202/4885CYP19A1 1475/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV NOTUM 4603/4885KEAP1 3590/4885CYP19A1 1811/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 NOTUM 4581/4885KEAP1 1772/4885CYP19A1 841/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 NOTUM 4627/4885KEAP1 1607/4885CYP19A1 1005/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 NOTUM 4224/4885KEAP1 3859/4885CYP19A1 2220/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 NOTUM 3696/4885KEAP1 3759/4885CYP19A1 1825/4885

“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.