SCHEMBL5483638

SCHEMBL5483638

O=Cc1cnn(-c2cccc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MTOR P42345 3/20 0.40
KDM5B Q9UGL1 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
MGLL Q99685 1/20 0.39
ATM Q13315 1/20 0.38
IDO1 P14902 1/20 0.38
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
MAPK10 P53779 1/20 0.37
PRMT5 O14744 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL15181516 0.83 MTOR (0.56) NOTUMNPC1RAB9ASMN1; SMN2MTOR
SCHEMBL18586054 0.83 KMT2A (0.52) NPC1RAB9ASMN1; SMN2MTORMGLL
SCHEMBL18585571 0.83 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MTORMGLL
SCHEMBL8415523 0.81 MTOR (0.52) NOTUMNPC1RAB9ASMN1; SMN2MTOR
SCHEMBL18586055 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MTORMGLL
SCHEMBL70114 0.81 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MTORRPTOR
Water SCHEMBL17731583 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MTORRPTOR
SCHEMBL31398745 0.79 GRM5 (0.54) NOTUMNPC1RAB9ASMN1; SMN2MTOR
SCHEMBL18586312 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MTORRPTOR
SCHEMBL11477159 0.79 EPHX2 (0.63) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 CN disclosed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 US disclosed
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2021-09-23 US disclosed
EP-3786163-A1 NOVEL COMPOUND AS MTOR INHIBITOR AND USE THEREOF Medicinal Bioconvergence Research Center (KR) 2021-03-03 EP disclosed
CN-112368279-A Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2021-02-12 CN disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (6 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NOTUM 840/4885NPC1 3415/4885RAB9A 3993/4885
US-11649231-B2 Compound as mTOR inhibitor and use thereof MTOR, RICTOR, RPTOR NOTUM 1381/4885NPC1 162/4885RAB9A 500/4885
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 NOTUM 4056/4885NPC1 1874/4885RAB9A 2912/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885NPC1 2690/4885RAB9A 1882/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 NOTUM 840/4885NPC1 3415/4885RAB9A 3993/4885
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MTOR, RICTOR, RPTOR NOTUM 1536/4885NPC1 172/4885RAB9A 660/4885

“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.