SCHEMBL21245720

SCHEMBL21245720

O=C1COc2c(F)cc(Br)cc2N1C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
MTOR P42345 2/20 0.32
OPRL1 P41146 2/20 0.31
OPRM1 P35372 1/20 0.31
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL21245772 0.97 PIK3CD (0.34) TERTPIK3CDPIK3R1MTOROPRL1
SCHEMBL21245554 0.76 PDE3B (0.42) TERT
SCHEMBL20719357 0.73 CCNT1 (0.35) TERT
SCHEMBL21245650 0.73 SLC5A2 (0.33) TERTHTT
SCHEMBL29660543 0.72 CDK4 (0.40) TERTPIK3CDPIK3R1MTOR
SCHEMBL21245776 0.72 CDK6 (0.42) PIK3CD
SCHEMBL21245891 0.72 CDK4 (0.40) TERTPIK3CDPIK3R1MTOR
SCHEMBL21245881 0.71 HTT (0.38) TERTHTT
SCHEMBL28642381 0.71 TSHR (0.48) PIK3CDPIK3R1MTOROPRL1OPRM1
SCHEMBL21245713 0.69 CDK6 (0.41) PIK3CD

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 3 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-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 TERT 682/4885PIK3CD 384/4885PIK3R1 534/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 TERT 548/4885PIK3CD 401/4885PIK3R1 691/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 TERT 548/4885PIK3CD 401/4885PIK3R1 691/4885

“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.