SCHEMBL801807

SCHEMBL801807

CC(C)Nc1cc(C(C)C)cc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 3/20 0.45
AOC1 P19801 2/20 0.43
AOC3 Q16853 2/20 0.43
LMNA P02545 1/20 0.42
LATS1 O95835 3/20 0.40
LATS2 Q9NRM7 2/20 0.40
PRKCH P24723 3/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 2/20 0.37
CYP1A2 P05177 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
NR4A2 P43354 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HASPIN Q8TF76 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL801415 0.88 HIPK2 (0.45) HIPK2AOC1AOC3LMNALATS1
SCHEMBL13592628 0.77 IDO1 (0.43) CYP1A2NR4A2IDO1
SCHEMBL12789725 0.77 CYP1A2 (0.40) LMNAPRKCHPRKCEPRKCQPRKCD
SCHEMBL11143217 0.76 LMNA (0.62) LMNACYP1A2TRPV1PRKCZ
SCHEMBL802011 0.74 LATS1 (0.50) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL23717023 0.73 MAOA (0.44) LMNAPRKCHPRKCEPRKCQPRKCD
SCHEMBL13437973 0.72 LATS1 (0.51) HIPK2AOC1AOC3LATS1LATS2
SCHEMBL802003 0.72 IRAK4 (0.32) AOC1AOC3NR4A2
SCHEMBL801649 0.72 LATS1 (0.50) HIPK2AOC1AOC3LMNALATS1
SCHEMBL802293 0.71 HIPK2 (0.44) HIPK2AOC1AOC3LMNALATS1

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 13 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-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 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-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 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 (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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A HIPK2 185/4885AOC1 4630/4885AOC3 2891/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA HIPK2 138/4885AOC1 4630/4885AOC3 3425/4885
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.