SCHEMBL16795293

SCHEMBL16795293

Fc1c(Cl)nc(-c2cnn3ccccc23)nc1N[C@@H]1CCCNC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.61
CCNK O75909 1/20 0.61
CCNE1 P24864 1/20 0.61
CDK2 P24941 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
MNAT1 P51948 1/20 0.61
CDK12 Q9NYV4 1/20 0.61
JAK2 O60674 19/20 0.52
JAK1 P23458 19/20 0.52
JAK3 P52333 19/20 0.52

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
SCHEMBL18302167 0.89 CCNT1 (0.57) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18302238 0.87 JAK2 (0.64) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18302312 0.86 JAK2 (0.64) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL16795448 0.86 JAK2 (0.48) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL16795450 0.86 JAK2 (0.48) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL2346895 0.86 CCNT1 (0.70) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL12454048 0.86 CCNT1 (0.60) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL2346892 0.86 CCNT1 (0.70) CCNT1CCNKCCNE1CDK2CDK7
Hydrochloric Acid SCHEMBL18302282 0.85 JAK2 (0.64) CCNT1CCNKCCNE1CDK2CDK7
Hydrochloric Acid SCHEMBL18302279 0.85 JAK2 (0.64) CCNT1CCNKCCNE1CDK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2020-09-01 US disclosed
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2018-06-14 US disclosed
EP-3307272-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2018-04-18 EP disclosed
WO-2016198663-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2016-12-15 WO disclosed
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 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 (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-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK2, JAK3, JAK1 CCNT1 1590/4885CCNK 335/4885CCNE1 1383/4885
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors JAK2, JAK3, JAK1 CCNT1 1590/4885CCNK 335/4885CCNE1 1383/4885

“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.