SCHEMBL22285857

SCHEMBL22285857

O=C(O)NCCc1cc2c(Br)c(Cl)cnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.38
▸ CCNK O75909 7/20 0.35
▸ CDK12 Q9NYV4 7/20 0.35
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 4/20 0.32
▸ DHFR P00374 2/20 0.31
▸ KCNA6 P17658 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ KCNA4 P22459 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL29774308 0.83 STK17B (0.45) KMT2AMEN1
SCHEMBL20840000 0.80 CCNK (0.44) DAOCCNKCDK12DHFR
SCHEMBL20839763 0.77 MTNR1A (0.41) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL20839836 0.74 CCNK (0.40) DAOCCNKCDK12
SCHEMBL20840008 0.74 CCNK (0.71) CCNKCDK12
SCHEMBL13695024 0.70 DAO (0.45) DAOCCNKCDK12
SCHEMBL20839652 0.68 CCNK (0.69) CCNKCDK12
SCHEMBL16540928 0.67 GLA (0.40) KMT2AMEN1
SCHEMBL20839907 0.67 CCNK (0.49) CCNKCDK12
SCHEMBL26912587 0.64 MTNR1A (0.44) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 — — EP disclosed
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2020-08-06 — — 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 (1 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-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE CDK1, CDK11A, CDK12 DAO 2524/4885CCNK 18/4885CDK12 3/4885

“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.

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