SCHEMBL9927077

SCHEMBL9927077

CC(C)C(=O)c1ccnc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.40
▸ IDH2 P48735 2/20 0.40
▸ CBLB Q13191 6/20 0.40
▸ MALT1 Q9UDY8 1/20 0.37
▸ ACACB O00763 3/20 0.37
▸ MMP13 P45452 3/20 0.36
▸ AAK1 Q2M2I8 2/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL13044085 0.85 KDM4E (0.33) CBLBMAPT
SCHEMBL4896211 0.81 ALDH1A1 (0.41) IDH1IDH2CBLBMALT1ACACB
SCHEMBL22924538 0.80 CBLB (0.45) IDH1IDH2CBLBMALT1ACACB
SCHEMBL1578155 0.79 KDM4E (0.49) MALT1MAPT
SCHEMBL2791548 0.77 KMT2A (0.47) CBLBMALT1
SCHEMBL31224043 0.77 CBLB (0.43) CBLBMALT1MMP13
SCHEMBL28018942 0.77 IDH1 (0.41) IDH1IDH2CBLBMALT1MMP13
SCHEMBL353759 0.77 MAPT (0.44) CBLBMALT1MAPT
SCHEMBL11565478 0.75 KDM4E (0.36) MAPT
SCHEMBL25225384 0.75 CBLB (0.36) IDH1IDH2CBLBMALT1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 — — US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 — — US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 — — US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 — — US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 — — US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 — — 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 (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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 IDH1 1320/4885IDH2 1572/4885CBLB 342/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 IDH1 1411/4885IDH2 1698/4885CBLB 261/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 IDH1 1320/4885IDH2 1572/4885CBLB 342/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 IDH1 1320/4885IDH2 1572/4885CBLB 342/4885

“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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