SCHEMBL1742856

SCHEMBL1742856

O=C(O)NCCNc1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
KAT2B Q92831 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL1742858 1.00 MAPT (0.39) MAPTTDP1KAT2BCYP1A2CYP3A4
SCHEMBL13242139 0.82 KAT2B (0.40) MAPTKAT2BCYP1A2LMNASMN1; SMN2
SCHEMBL30148155 0.82 ATR (0.41) TDP1
SCHEMBL14153215 0.82 ATR (0.41) TDP1
SCHEMBL563457 0.78 ALDH1A1 (0.40) MAPTTDP1LMNASMN1; SMN2NPC1
SCHEMBL1743682 0.78 BACE1 (0.38) CYP1A2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL563456 0.78 ALDH1A1 (0.40) MAPTTDP1LMNASMN1; SMN2NPC1
SCHEMBL2552457 0.77 ALDH1A1 (0.50) MAPTTDP1LMNASMN1; SMN2RAB9A
SCHEMBL4001406 0.76 KAT2B (0.38) MAPTKAT2BLMNASMN1; SMN2NPC1
SCHEMBL2572082 0.76 HTT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2020-02-27 US disclosed
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2019-10-01 US disclosed
US-20190010152-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2019-01-10 US disclosed
US-10035797-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2018-07-31 US disclosed
US-20170267674-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2017-09-21 US disclosed
US-9630965-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2017-04-25 US disclosed
US-8586605-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2013-11-19 US disclosed
EP-2069324-B1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2013-07-31 EP disclosed
US-8324240-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2012-12-04 US disclosed
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2012-09-20 US disclosed
EP-2387316-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS Curis, Inc. (US) 2011-11-23 EP disclosed
US-20100184801-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS CURIS, INC. 2010-07-22 US disclosed
WO-2010083403-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS CURIS, INC. (US) 2010-07-22 WO disclosed
EP-2069324-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS Curis, Inc. (US) 2009-06-17 EP disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 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 (12 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-20190010152-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20170267674-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20120237508-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20100184801-A1 FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS IDH2, IDH1, AADAT MAPT 2642/4885TDP1 3112/4885KAT2B 4240/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885
US-10035797-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 215/4885TDP1 407/4885KAT2B 2914/4885

“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.