SCHEMBL21377019

SCHEMBL21377019

Cc1cnn2c1CCC(C)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
ALOX15 P16050 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
SCHEMBL20861336 0.81 CYP11B2 (0.35) CDK9KDM4EHTTCYP11B1CYP11B2
SCHEMBL24477989 0.80 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL18338614 0.80 CDK9 (0.33) CDK9
SCHEMBL20861570 0.77 CDK9 (0.34) CDK9
SCHEMBL20861567 0.77 CYP11B2 (0.43) CDK9CYP11B1CYP11B2
SCHEMBL19558405 0.77 CDK9 (0.32) CDK9
SCHEMBL18338588 0.71 P2RX7 (0.33) CDK9
SCHEMBL20861490 0.70 DRD4 (0.37) CDK9HTTKMT2ACYP11B1CYP11B2
SCHEMBL23107178 0.70 DRD4 (0.37) CDK9HTTKMT2ACYP11B1CYP11B2
SCHEMBL23107185 0.70 DRD4 (0.37) CDK9HTTKMT2ACYP11B1CYP11B2

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-11352369-B2 Pyridine and pyrimidine derivatives ASTRAZENECA AB (SE) 2022-06-07 US disclosed
US-20210171541-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2021-06-10 US disclosed
EP-3539961-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS Astrazeneca AB (SE) 2019-09-18 EP 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 (2 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-20210171541-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L CDK9 1/4885KDM4E 489/4885HTT 2949/4885
US-11352369-B2 Pyridine and pyrimidine derivatives CDK9, BCL9, CDK19 CDK9 1/4885KDM4E 509/4885HTT 3024/4885

“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.