SCHEMBL295740

SCHEMBL295740

Cc1cc(N=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CD44 P16070 1/20 0.34
KMT2A Q03164 3/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34

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
SCHEMBL14256816 0.82 HTR3E (0.50) MAPK1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL8935677 0.78 ALDH1A1 (0.44) MAPK1TDP1TSHRALDH1A1TP53
SCHEMBL12116179 0.78 MAPK1 (0.58) MAPK1TDP1TSHRALDH1A1TP53
SCHEMBL30396176 0.78 MAPK1 (0.58) MAPK1TDP1TSHRALDH1A1TP53
SCHEMBL3922528 0.77 TDP1 (0.68) MCL1MAPK1TDP1GRIN2DGRIN3B
SCHEMBL12216540 0.74 TDP1 (0.43) MAPK1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL1274930 0.74 ALDH1A1 (0.38) MAPK1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL29577280 0.74 ALDH1A1 (0.38) MAPK1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL11213752 0.74 BRD4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14382106 0.73 MAPK1 (0.38) MAPK1TDP1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828202-B1 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE AND INFLAMMATORY DISORDERS WYETH LLC (US) 2012-03-14 EP claimed
CN-101084227-B Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP 2011-11-16 CN claimed
US-7560457-B2 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders WYETH (US) 2009-07-14 US claimed
CN-101084227-A Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP (US) 2007-12-05 CN claimed
US-7276498-B2 Rapamycin analogues and uses thereof in the treatment of neurological disorders WYETH (US) 2007-10-02 US claimed
EP-1828202-A2 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGIAL PROLIFERATIVE AND INFLAMMATORY DISORDERS Wyeth a Corporation of the State of Delaware (US) 2007-09-05 EP claimed
US-20070142423-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders WYETH (US) 2007-06-21 US claimed
WO-2006068932-A2 RAPAMYCIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE, AND INFLAMMATORY DISORDERS WYETH (US) 2006-06-29 WO claimed
US-20060135549-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders WYETH (US) 2006-06-22 US claimed
EP-1891076-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
EP-1828202-B1 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE AND INFLAMMATORY DISORDERS WYETH LLC (US) 2012-03-14 EP disclosed
CN-101084227-B Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP 2011-11-16 CN disclosed
US-7795252-B2 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders PFIZER INC. (US) 2010-09-14 US disclosed
US-20100196355-A1 Immunophilin Ligands and Methods for Modulating Immunophilin and Calcium Channel Activity WYETH (US) 2010-08-05 US disclosed
CN-101084227-A Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP (US) 2007-12-05 CN disclosed
US-7276498-B2 Rapamycin analogues and uses thereof in the treatment of neurological disorders WYETH (US) 2007-10-02 US disclosed
EP-1828202-A2 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGIAL PROLIFERATIVE AND INFLAMMATORY DISORDERS Wyeth a Corporation of the State of Delaware (US) 2007-09-05 EP disclosed
US-20070142423-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders WYETH (US) 2007-06-21 US disclosed
WO-2006068932-A2 RAPAMYCIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE, AND INFLAMMATORY DISORDERS WYETH (US) 2006-06-29 WO disclosed
US-20060135549-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders WYETH (US) 2006-06-22 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-20100196355-A1 Immunophilin Ligands and Methods for Modulating Immunophilin and Calcium Channel Activity CACNG4, CACNG7, CACNG2 MCL1 2164/4885MAPK1 4351/4885TDP1 1605/4885
US-20070142423-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders RPTOR, MTOR, RICTOR MCL1 3315/4885MAPK1 526/4885TDP1 3332/4885
US-20060135549-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders RPTOR, MTOR, RICTOR MCL1 3315/4885MAPK1 526/4885TDP1 3332/4885

“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.