SCHEMBL22413162

SCHEMBL22413162

Fc1cccc(CNc2cc(N[C@H]3CCCNC3)nc3c(C4CC4)cnn23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.54
▸ GSK3B P49841 1/20 0.48
▸ CDK2 P24941 4/20 0.46
▸ CHEK1 O14757 2/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.45
▸ CDK7 P50613 3/20 0.44
▸ CDK9 P50750 3/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CCNH P51946 2/20 0.44
▸ MNAT1 P51948 2/20 0.44
▸ CDK6 Q00534 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ NTRK1 P04629 5/20 0.43
▸ NTRK3 Q16288 2/20 0.42
▸ NTRK2 Q16620 2/20 0.42

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
Hydrochloric Acid SCHEMBL22413123 0.99 CCNT1 (0.53) CCNT1GSK3BCDK2CHEK1CCNA2
SCHEMBL22434484 0.90 GSK3B (0.48) CCNT1GSK3BCDK2CHEK1CCNA2
Hydrochloric Acid SCHEMBL22413120 0.89 GSK3B (0.47) CCNT1GSK3BCDK2CHEK1CCNA2
Hydrochloric Acid SCHEMBL29582787 0.89 GSK3B (0.47) CCNT1GSK3BCDK2CHEK1CCNA2
SCHEMBL29583558 0.87 CCNT1 (0.52) CCNT1GSK3BCDK2CHEK1CCNA2
SCHEMBL22413324 0.87 CCNT1 (0.52) CCNT1GSK3BCDK2CHEK1CCNA2
SCHEMBL22413326 0.87 CCNT1 (0.52) CCNT1GSK3BCDK2CHEK1CCNA2
SCHEMBL22434416 0.85 CDK2 (0.53) CCNT1GSK3BCDK2CHEK1MAPKAPK2
Hydrochloric Acid SCHEMBL22413149 0.84 CDK2 (0.52) CCNT1GSK3BCDK2CHEK1MAPKAPK2
Hydrochloric Acid SCHEMBL29582696 0.84 CDK2 (0.52) CCNT1GSK3BCDK2CHEK1MAPKAPK2

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 4 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
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 CCNT1 39/4885GSK3B 383/4885CDK2 9/4885

“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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