SCHEMBL824559

SCHEMBL824559

Nc1ccc(Oc2ccnc(-c3cc[nH]n3)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ NR4A1 P22736 1/20 0.35
▸ KDR P35968 11/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ RAF1 P04049 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ FLT1 P17948 4/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ DRD1 P21728 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
SCHEMBL11958462 0.80 CCR1 (0.35) CCR1CCR5CCR8NR4A1KDR
SCHEMBL29834811 0.78 ASIC3 (0.49) NR4A1ALDH1A1
SCHEMBL29834652 0.77 KDM4B (0.42) CCR1CCR5CCR8NR4A1KDR
SCHEMBL14031589 0.77 SCN9A (0.35) CCR1CCR5CCR8NR4A1KDR
SCHEMBL2030061 0.76 PIM1 (0.40) KDR
SCHEMBL1137172 0.76 NOS3 (0.50) NR4A1ALDH1A1MAPK14
SCHEMBL5058569 0.76 LTA4H (0.41) CCR1CCR5CCR8NR4A1KDR
SCHEMBL27096820 0.75 KDM4B (0.46) CCR1CCR5CCR8KDRALDH1A1
SCHEMBL24037921 0.75 ALDH1A1 (0.38) NR4A1TRPA1ALDH1A1
SCHEMBL2412016 0.74 CSF1R (0.41) CCR1CCR5CCR8NR4A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 — — US disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 — — US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 — — WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 — — US disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 — — US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 — — US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 — — 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-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 CCR1 3809/4885CCR5 3999/4885CCR8 4428/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF CCR1 1455/4885CCR5 1391/4885CCR8 1986/4885

“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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