SCHEMBL21409989

SCHEMBL21409989

FC(F)(F)c1cnc(Cl)nc1-c1n[nH]cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
RPS6KA5 O75582 2/20 0.32
NOTUM Q6P988 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
SCHEMBL30662104 1.00 JUN (0.33) JUNNFKB1NFKB2RELARPS6KA5
SCHEMBL29174727 0.80 RPS6KA5 (0.43) RPS6KA5
SCHEMBL30725466 0.80 RPS6KA5 (0.43) RPS6KA5
SCHEMBL21410120 0.76 KDM5B (0.31)
SCHEMBL29699016 0.71 NFKB1 (0.35) JUNNFKB1NFKB2RELARPS6KA5
SCHEMBL19100425 0.70 CCNK (0.54)
SCHEMBL153856 0.68 RPS6KA5 (0.42) JUNNFKB1NFKB2RELARPS6KA5
SCHEMBL29392215 0.68 RPS6KA5 (0.42) JUNNFKB1NFKB2RELARPS6KA5
SCHEMBL27503715 0.68 NPC1 (0.41) JUNNFKB1NFKB2RELA
SCHEMBL19605660 0.67 CCNT1 (0.41) RPS6KA5

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-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-07 US disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
US-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-04-20 US disclosed
US-11584737-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-21 US disclosed
US-20210363130-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-25 US disclosed
EP-3782986-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-02-24 EP disclosed
WO-2019189555-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2019-10-03 WO 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 (4 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-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS CDK1, CDK12, CDK15 JUN 2247/4885NFKB1 2081/4885NFKB2 1403/4885
US-11584737-B2 Heterocyclic compound CDK12, CDK1, CDK15 JUN 1814/4885NFKB1 1701/4885NFKB2 1062/4885
US-20210363130-A1 HETEROCYCLIC COMPOUND CDK12, CDK1, CDK15 JUN 1814/4885NFKB1 1701/4885NFKB2 1062/4885
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors CDK1, CDK12, CDK15 JUN 2247/4885NFKB1 2081/4885NFKB2 1403/4885

“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.