SCHEMBL22413144

SCHEMBL22413144

Fc1cccc(CNc2cc(Cl)nc3c(C4CC4)cnn23)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 7/20 0.48
▸ KCNN1 Q92952 2/20 0.46
▸ KCNN2 Q9H2S1 2/20 0.46
▸ GSK3B P49841 2/20 0.44
▸ PDE2A O00408 1/20 0.42
▸ CCNT1 O60563 6/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ NTRK1 P04629 2/20 0.40

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
SCHEMBL22413208 0.89 KCNN3 (0.58) KCNN3KCNN1KCNN2GSK3BPDE2A
SCHEMBL30872083 0.82 KCNN3 (0.49) KCNN3KCNN1KCNN2GSK3BCDK2
SCHEMBL22413318 0.82 MAPKAPK2 (0.42) GSK3BCDK2
SCHEMBL12954018 0.82 CDK2 (0.52) KCNN3KCNN1KCNN2GSK3BCCNT1
SCHEMBL30083507 0.81 GPR39 (0.41) KCNN3KCNN1KCNN2GSK3BCDK2
SCHEMBL30083511 0.80 KCNN3 (0.42) KCNN3KCNN1KCNN2GSK3BCDK2
SCHEMBL22413282 0.80 CDK2 (0.53) KCNN3KCNN1KCNN2GSK3BCDK2
SCHEMBL22413175 0.80 NTRK1 (0.40) CCNT1NTRK1
SCHEMBL30083523 0.80 KCNN3 (0.44) KCNN3KCNN1KCNN2GSK3BCDK2
SCHEMBL22413162 0.80 CCNT1 (0.54) GSK3BCCNT1CDK2NTRK1

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-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 — — US disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 — — WO disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 — — 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 (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-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS CDK7, CDK8, CDK3 KCNN3 4365/4885KCNN1 4614/4885KCNN2 4673/4885

“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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