SCHEMBL573398

SCHEMBL573398

O=C(Nc1noc2ccccc12)OCC(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
TP53 P04637 6/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ3 P48549 1/20 0.48
FAAH O00519 2/20 0.42
KCNA5 P22460 1/20 0.41
HIF1A Q16665 3/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 5/20 0.40

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
SCHEMBL27824009 0.87 TP53 (0.42) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL12636152 0.77 TP53 (0.55) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL30923979 0.76 TP53 (0.40) SMN1; SMN2TP53
SCHEMBL896377 0.75 TP53 (0.56) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL2125837 0.75 SMN1; SMN2 (0.57) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL30923944 0.74 TP53 (0.38) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL3771794 0.74 GABRA1 (0.36) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL7089986 0.74 SMN1; SMN2 (0.63) SMN1; SMN2TP53MAPTALOX15TSHR
SCHEMBL30923936 0.73 KIT (0.38) SMN1; SMN2TP53TSHRRAB9A
SCHEMBL2438375 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TP53MAPTALOX15TSHR

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 9 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
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP 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
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US 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 (4 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA SMN1; SMN2 3410/4885TP53 4768/4885MAPT 3707/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 SMN1; SMN2 2910/4885TP53 20/4885MAPT 3875/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA SMN1; SMN2 3410/4885TP53 4768/4885MAPT 3707/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF SMN1; SMN2 2810/4885TP53 407/4885MAPT 2853/4885

“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.