SCHEMBL400710

SCHEMBL400710

O=C1c2ccccc2C(=O)C1Cc1n[nH]c(=S)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PRMT5 O14744 1/20 0.34
PRNP P04156 4/20 0.34
PPARG P37231 4/20 0.34
RXFP1 Q9HBX9 3/20 0.34
NCOR2 Q9Y618 3/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
AR P10275 2/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 2/20 0.32
USP1 O94782 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
SCHEMBL400160 0.73 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL17285573 0.71 ALDH1A1 (1.00) ALDH1A1HPGDCYP2C9MAPTHSD17B10
SCHEMBL5795561 0.70 ALDH1A1 (0.73) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL5793071 0.65 MAPT (0.56) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL17272789 0.65 MAPT (0.61) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL17285588 0.64 ALDH1A1 (0.63) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL2430238 0.64 NPC1 (0.53) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL9055148 0.63 MAPT (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL17285533 0.63 ALDH1A1 (0.61) ALDH1A1HPGDCYP2C9MAPTMEN1
SCHEMBL17285575 0.62 ALDH1A1 (0.71) ALDH1A1HPGDCYP2C9MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
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-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 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
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 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-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 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
EP-1781660-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 US disclosed
WO-2006012422-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-02-02 WO disclosed
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885HPGD 2843/4885CYP2C9 2313/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 ALDH1A1 3956/4885HPGD 2905/4885CYP2C9 2762/4885
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 ALDH1A1 4761/4885HPGD 4555/4885CYP2C9 3915/4885
US-20060019957-A1 Imidazotriazines as protein kinase inhibitors IGF1R, IRS1, INSR ALDH1A1 1411/4885HPGD 3492/4885CYP2C9 2546/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 ALDH1A1 4496/4885HPGD 2872/4885CYP2C9 4397/4885
US-20070254883-A1 Unsaturated mTOR inhibitors MTOR, RICTOR, MAPKAP1 ALDH1A1 2175/4885HPGD 825/4885CYP2C9 2992/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885HPGD 2843/4885CYP2C9 2313/4885

“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.