SCHEMBL593363

SCHEMBL593363

CCn1c(-c2ccccc2)nc2cc(Br)ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.74
PTGER4 P35408 2/20 0.57
MAPT P10636 5/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 4/20 0.50
LMNA P02545 3/20 0.50

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
SCHEMBL17896625 0.85 CYP11B2 (0.62) NLRP3PTGER4MAPTKDM4EALDH1A1
SCHEMBL10030013 0.85 NLRP3 (1.00) NLRP3PTGER4MAPTKDM4EALDH1A1
SCHEMBL594322 0.84 ALDH1A1 (0.68) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL24294950 0.83 NLRP3 (0.74) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL16692218 0.82 KDM4E (0.73) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL29991849 0.82 KDM4E (0.73) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL30934017 0.81 MAPT (0.80) NLRP3PTGER4MAPTKDM4EALDH1A1
SCHEMBL5009162 0.81 KDM4E (0.77) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL24941657 0.81 KDM4E (0.71) NLRP3MAPTKDM4EALDH1A1HPGD
SCHEMBL337983 0.80 ALDH1A1 (0.58) NLRP3MAPTKDM4EALDH1A1HPGD

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325186-B1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS LLC (US) 2014-10-08 EP disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US disclosed
US-8586546-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-11-19 US disclosed
US-8586546-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-11-19 US disclosed
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 EP disclosed
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 EP disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO disclosed
EP-1996193-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
WO-2007106503-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
WO-2007106503-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 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 (3 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-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 NLRP3 3566/4885PTGER4 4634/4885MAPT 2570/4885
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors EGFR, ERBB2, RICTOR NLRP3 4016/4885PTGER4 3002/4885MAPT 1654/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 NLRP3 4313/4885PTGER4 4389/4885MAPT 3825/4885

“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.