Sugi Predict

Sugi Predict / Compounds / SCHEMBL2082829

SCHEMBL2082829

SCHEMBL2082829

CC(C)(C)c1cc(N)n(-c2ccc3c(c2)N(C(=O)C(F)(F)F)CC3)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F10 P00742 4/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ TRPV1 Q8NER1 7/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ MAPK13 O15264 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
SCHEMBL2083902 0.92 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2081974 0.74 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2083054 0.72 NR1H2 (0.53) NPC1MAPTRAB9ATRPV1LMNA
SCHEMBL2082655 0.71 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL2028452 0.71 NR1H2 (0.62) MAPTLMNA
SCHEMBL2028664 0.71 ESR2 (0.57) MAPTLMNA
SCHEMBL2081496 0.71 PTPN1 (0.42) CDK8TRPV1MAPK13MAPK12MAPK11
SCHEMBL2081497 0.71 PTPN1 (0.42) CDK8TRPV1MAPK13MAPK12MAPK11
SCHEMBL2083770 0.71 PDE4B (0.38) CDK8TRPV1GRNSORT1MAPK13
SCHEMBL2083767 0.71 PDE4B (0.38) CDK8TRPV1GRNSORT1MAPK13

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-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 — — US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 — — US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 — — US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 — — US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 — — US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 — — 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CA12 3853/4885CA1 3786/4885CA2 1865/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CA12 3912/4885CA1 3966/4885CA2 2446/4885

“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.