SCHEMBL22787376

SCHEMBL22787376

CSc1ncc(C=O)c(N[C@H]2CCCC[C@H]2O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MAPK8 P45983 1/20 0.39
▸ LATS1 O95835 2/20 0.39
▸ LATS2 Q9NRM7 1/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ IRAK1 P51617 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ GABBR2 O75899 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GABBR1 Q9UBS5 1/20 0.35
▸ SYK P43405 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL22787377 1.00 JAK2 (0.42) JAK2JAK1MAPK8LATS1LATS2
SCHEMBL22787375 0.99 JAK2 (0.43) JAK2JAK1MAPK8LATS1LATS2
SCHEMBL19857412 0.99 JAK2 (0.43) JAK2JAK1MAPK8LATS1LATS2
SCHEMBL24669670 0.99 JAK2 (0.43) JAK2JAK1MAPK8LATS1LATS2
SCHEMBL22787381 0.99 JAK2 (0.43) JAK2JAK1MAPK8LATS1LATS2
SCHEMBL19857362 0.85 LATS1 (0.40) JAK2JAK1LATS1LATS2MERTK
SCHEMBL30517136 0.85 LATS1 (0.40) JAK2JAK1LATS1LATS2MERTK
SCHEMBL19857319 0.85 LATS1 (0.40) JAK2JAK1LATS1LATS2MERTK
SCHEMBL574174 0.83 KMT2A (0.51) JAK2JAK1MERTKMEN1GABBR2
SCHEMBL4712427 0.82 KMT2A (0.50) JAK2JAK1MAPK8MERTKMEN1

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
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 — — US disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 — — 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 (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-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 JAK2 133/4885JAK1 262/4885MAPK8 731/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 JAK2 131/4885JAK1 292/4885MAPK8 729/4885

“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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