SCHEMBL10323172

SCHEMBL10323172

CN(C)CCNc1ncc2c(-c3ccnc(NCc4cccc(Cl)c4)n3)n[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.45
▸ MKNK1 Q9BUB5 3/20 0.42
▸ EIF2AK2 P19525 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DNM2 P50570 2/20 0.39
▸ BRAF P15056 1/20 0.39
▸ DYRK1A Q13627 4/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ DYRK1B Q9Y463 3/20 0.38
▸ CCR4 P51679 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CLK1 P49759 3/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ CLK2 P49760 2/20 0.36

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
SCHEMBL10322997 0.88 ADORA1 (0.45) RPS6KB1MKNK1EIF2AK2FLT3PLK4
SCHEMBL10322415 0.83 FLT3 (0.51) RPS6KB1MKNK1EIF2AK2FLT3PLK4
SCHEMBL11892639 0.83 RPS6KB1 (0.46) RPS6KB1MKNK1EIF2AK2FLT3PLK4
SCHEMBL10354002 0.82 FLT3 (0.51) RPS6KB1MKNK1EIF2AK2FLT3DYRK1A
SCHEMBL10323194 0.82 FLT3 (0.50) RPS6KB1MKNK1EIF2AK2FLT3DYRK1A
SCHEMBL10322579 0.81 FLT3 (0.61) MKNK1EIF2AK2FLT3DYRK1ADYRK1B
SCHEMBL10323183 0.80 PRKCQ (0.44) RPS6KB1EIF2AK2FLT3PAK4
SCHEMBL10322814 0.80 CCNT1 (0.50) RPS6KB1MKNK1FLT3MAPK1
SCHEMBL10353673 0.79 CCNT1 (0.51) RPS6KB1FLT3PAK4MAPK1DYRK1A
SCHEMBL10323485 0.79 CCNT1 (0.51) RPS6KB1FLT3PAK4MAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US claimed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US claimed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
WO-2012098068-A1 PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — 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 (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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 RPS6KB1 2352/4885MKNK1 606/4885EIF2AK2 1860/4885

“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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