SCHEMBL13480916

SCHEMBL13480916

CC(C)(C)c1cc(N)n(-c2cccc(CN=[N+]=[N-])c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ MAPK13 O15264 4/20 0.36
▸ MAPK12 P53778 4/20 0.36
▸ MAPK11 Q15759 4/20 0.36
▸ DDR2 Q16832 2/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 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
SCHEMBL14403171 0.82 MAPK14 (0.57) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL2080021 0.81 MAPK14 (0.47) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL2082239 0.81 ALDH1A1 (0.46) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL27620325 0.80 CNR1 (0.39) ALDH1A1CYP1A2MAPK1CYP2C19NPC1
Hydrochloric Acid SCHEMBL2082972 0.80 MAPK14 (0.47) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL3183789 0.80 MAPK14 (0.55) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL15025634 0.79 MAPK14 (0.47) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL2725770 0.79 MAPK14 (0.43) MAPK14ALDH1A1RAF1BRAFEPHB2
SCHEMBL2083583 0.78 MAPK14 (0.60) MAPK14RAF1BRAFEPHB2MAPK13
SCHEMBL1408300 0.76 MC4R (0.43) MAPK14ALDH1A1

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 47 patents — showing the first 20. 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-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 — — US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 — — US disclosed
US-7666895-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-02-23 — — US disclosed
US-7666895-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-02-23 — — US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 — — US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 — — US disclosed
US-20090137021-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-05-28 — — US disclosed
US-20090137021-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-05-28 — — US disclosed
US-20080045706-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 — — US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 — — 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
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 — — US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 — — US disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 — — CN 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 (6 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-20080045706-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF MAPK14 56/4885ALDH1A1 3257/4885RAF1 1816/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885ALDH1A1 3608/4885RAF1 160/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MAPK14 80/4885ALDH1A1 1756/4885RAF1 189/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885ALDH1A1 3608/4885RAF1 160/4885
US-20090137021-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF MAPK14 56/4885ALDH1A1 3257/4885RAF1 1816/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885ALDH1A1 1036/4885RAF1 76/4885

“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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