SCHEMBL802293

SCHEMBL802293

CC(C)Nc1cc(C(C)C)nc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 3/20 0.44
AOC1 P19801 2/20 0.42
AOC3 Q16853 2/20 0.42
LATS1 O95835 6/20 0.40
LATS2 Q9NRM7 3/20 0.40
NR4A2 P43354 2/20 0.35
JAK2 O60674 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NTSR1 P30989 1/20 0.32
RAD52 P43351 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL802011 0.88 LATS1 (0.50) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL10266503 0.83 NR4A2 (0.48) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL22276418 0.79 RPS6KA3 (0.36) HIPK2LATS1LATS2JAK2POLB
SCHEMBL19250467 0.78 HIPK2 (0.35) HIPK2LATS1LATS2POLBCDK2
SCHEMBL13107477 0.74 LATS1 (0.45) LATS1LATS2
SCHEMBL23717025 0.74 MAOA (0.46) LMNAPOLBMAPTKMT2A
SCHEMBL801415 0.74 HIPK2 (0.45) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL24117236 0.74 HIPK2 (0.36) HIPK2LATS1LATS2JAK2CDK2
SCHEMBL802013 0.74 LATS1 (0.47) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL802662 0.73 HIPK2 (0.39) HIPK2NR4A2LMNA

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A HIPK2 185/4885AOC1 4630/4885AOC3 2891/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 HIPK2 410/4885AOC1 3606/4885AOC3 1545/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A HIPK2 185/4885AOC1 4630/4885AOC3 2891/4885

“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.