SCHEMBL138904

SCHEMBL138904

OB(O)c1cccc(OCF)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.58
MGLL Q99685 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL2557753 0.84 ENPP2 (0.53) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL2554457 0.81 ENPP2 (0.55) ENPP2MGLLKDM4EALDH1A1CA1
SCHEMBL17298961 0.81 CA1 (0.58) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL8553 0.81 ENPP2 (0.63) ENPP2MGLLKDM4EALDH1A1LPL
SCHEMBL5665657 0.81 ENPP2 (0.58) ENPP2MGLLKDM4EALDH1A1CA1
SCHEMBL1330774 0.80 ENPP2 (0.53) ENPP2MGLLKDM4EALDH1A1
SCHEMBL4272047 0.79 ENPP2 (0.36) ENPP2CA1CA2
SCHEMBL4508412 0.79 ENPP2 (0.56) ENPP2MGLLKDM4EALDH1A1
SCHEMBL28352473 0.79 ENPP2 (0.56) ENPP2MGLLKDM4EALDH1A1CA1
SCHEMBL4737237 0.79 TP53 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
EP-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 EP disclosed
US-8710057-B2 Imidazo[1,2-B]pyridazine and pyrazolo[1 .5-A]pyrimidine derivatives and their use as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
EP-2086979-A2 IMIDAZOÝ1,2-B¨PYRIDAZINE AND PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2009-08-12 EP disclosed
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-10-23 US disclosed
WO-2008058126-A2 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-15 WO 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 (7 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ENPP2 3923/4885MGLL 4853/4885KDM4E 1257/4885
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ENPP2 3923/4885MGLL 4853/4885KDM4E 1257/4885
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ENPP2 3997/4885MGLL 4857/4885KDM4E 1471/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885MGLL 2486/4885KDM4E 4270/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ENPP2 1003/4885MGLL 2855/4885KDM4E 2029/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ENPP2 1003/4885MGLL 2855/4885KDM4E 2029/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ENPP2 3997/4885MGLL 4857/4885KDM4E 1471/4885

“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.