SCHEMBL6505283

SCHEMBL6505283

O=C(c1ncccc1C1CCCC1)c1ncccc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HCRTR1 O43613 2/20 0.43
CAMKK2 Q96RR4 3/20 0.40
CAMKK1 Q8N5S9 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC6A7 Q99884 1/20 0.37
TBXAS1 P24557 1/20 0.36
P2RX7 Q99572 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
SCHEMBL14862302 0.96 HCRTR1 (0.45) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL6502458 0.93 HCRTR1 (0.44) KDM4EALDH1A1GAAHCRTR1CYP3A4
Hydrochloric Acid SCHEMBL27819063 0.86 KDM4E (0.51) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL2246378 0.86 KDM4E (0.41) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL27409124 0.86 KDM4E (0.55) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL17503606 0.85 KDM4E (0.43) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL16394404 0.83 HCRTR1 (0.44) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL16537946 0.82 KDM4E (0.42) KDM4EALDH1A1GAAPTGDR2HCRTR1
SCHEMBL3547214 0.80 KDM4E (0.53) KDM4EALDH1A1GAAHCRTR1CAMKK2
SCHEMBL2241353 0.79 HCRTR1 (0.43) KDM4EALDH1A1GAAHCRTR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2014-01-02 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
US-6946463-B2 1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1325004-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-B]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-07-09 EP disclosed
WO-2002026741-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-b]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 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 (4 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-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 KDM4E 722/4885ALDH1A1 2710/4885GAA 1381/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 KDM4E 1467/4885ALDH1A1 2934/4885GAA 2863/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 KDM4E 722/4885ALDH1A1 2710/4885GAA 1381/4885
US-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain OPRD1, OPRK1, ACHE KDM4E 2781/4885ALDH1A1 34/4885GAA 1816/4885

“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.