SCHEMBL573792

SCHEMBL573792

C=C(C)OC(=O)Nc1cncc(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ POLB P06746 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ BRAF P15056 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FADS1 O60427 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL12015757 0.80 GAA (0.47) NPC1RAB9APOLBP2RX4SMN1; SMN2
SCHEMBL2935891 0.76 TAS2R14 (0.46) —
SCHEMBL3635420 0.75 KIF11 (0.51) NPC1RAB9APOLBP2RX4SMN1; SMN2
SCHEMBL21349064 0.75 KMT2A (0.45) NPC1RAB9APOLBP2RX4SMN1; SMN2
SCHEMBL15874337 0.72 RAB9A (0.53) NPC1RAB9APOLBHPGDMEN1
SCHEMBL18881088 0.70 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL19077895 0.70 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL19077888 0.69 LMNA (0.54) POLBSMN1; SMN2HPGDMEN1LMNA
SCHEMBL3634815 0.69 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL19077881 0.69 CYP11B2 (0.59) NPC1RAB9APOLBTP53FADS1

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-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
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 — — EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 — — WO 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 NPC1 2218/4885RAB9A 1305/4885POLB 1131/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF NPC1 4123/4885RAB9A 751/4885POLB 4065/4885

“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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