SCHEMBL801835

SCHEMBL801835

CC(C)Nc1nc(C(C)C)nc2ncncc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
APP P05067 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
ACP1 P24666 1/20 0.32
CD38 P28907 1/20 0.32
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PIP4K2A P48426 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL805563 0.86 RAB9A (0.38) LATS1LATS2APPLMNASMN1; SMN2
SCHEMBL12653867 0.86 CYP3A4 (0.36) HSD17B10ALDH1A1
SCHEMBL12619542 0.80 ALDH1A1 (0.41) LATS1LATS2APPLMNASMN1; SMN2
SCHEMBL19250727 0.77 CYP11B1 (0.31)
SCHEMBL801834 0.75 LATS1 (0.35) LATS1LATS2LMNASMN1; SMN2HTT
SCHEMBL801420 0.75 APP (0.42) LATS1LATS2APPLMNASMN1; SMN2
SCHEMBL801624 0.73 LATS1 (0.33) LATS1LATS2APPLMNASMN1; SMN2
SCHEMBL801455 0.72 LATS1 (0.50) LATS1LATS2APPACP1TLR7
SCHEMBL12653931 0.72 NR4A2 (0.44) TLR7
SCHEMBL13107492 0.72 LMNA (0.41) LATS1LATS2APPLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669081-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-11 US disclosed
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-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-7863282-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 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
US-20070190634-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 US disclosed
US-20070179133-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-7179826-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-20 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 (5 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 LATS1 318/4885LATS2 325/4885APP 851/4885
US-20070179133-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 LATS1 624/4885LATS2 644/4885APP 2651/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 LATS1 1086/4885LATS2 1373/4885APP 1031/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A LATS1 318/4885LATS2 325/4885APP 851/4885
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, PACSIN2, MAP3K6 LATS1 624/4885LATS2 644/4885APP 2651/4885

“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.