SCHEMBL16243780

SCHEMBL16243780

c1cnc2cnc3nccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
RPS6KA5 O75582 11/20 0.42
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RPS6KA4 O75676 2/20 0.36
MET P08581 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPT P10636 1/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 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
SCHEMBL5909487 0.76 BACE1 (0.40) BACE1KDM4EALDH1A1GLAGAA
SCHEMBL31605956 0.76 BACE1 (0.40) BACE1KDM4EALDH1A1GLAGAA
SCHEMBL30578403 0.75 TSHR (0.39) RPS6KA5KDM4EHPGDHSD17B10RPS6KA4
SCHEMBL31500927 0.73 CDC7 (0.37) RPS6KA5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16244139 0.72 RPS6KA5 (0.47) RPS6KA5KDM4EALDH1A1GLAGAA
SCHEMBL27604587 0.70 BACE1 (0.43) BACE1KDM4EALDH1A1GLAGAA
SCHEMBL29449203 0.68 PTPN1 (0.50) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL839531 0.68 PTPN1 (0.50) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29965863 0.64 KDM4E (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1417158 0.64 KDM4E (0.55) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-04 US claimed
EP-3368034-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER Children's Hospital Medical Center (US) 2018-09-05 EP claimed
US-9855273-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-01-02 US claimed
EP-2999470-B1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-08-16 EP claimed
WO-2017075054-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-05-04 WO claimed
US-20170087162-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2017-03-30 US claimed
US-9504706-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-11-29 US claimed
EP-2999470-A2 COMBINATION THERAPY FOR MDS Children's Hospital Medical Center (US) 2016-03-30 EP claimed
US-20160038529-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2016-02-11 US claimed
US-9168257-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-10-27 US claimed
WO-2014190163-A2 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-11-27 WO claimed
US-20140350070-A1 Combination Therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2014-11-27 US claimed
US-20210292843-A1 TREATMENT OF DISEASES ASSOCIATED WITH ACTIVATED IRAK NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-23 US disclosed
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-04 US disclosed
EP-3368034-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER Children's Hospital Medical Center (US) 2018-09-05 EP disclosed
US-9855273-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-01-02 US disclosed
US-20160038529-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2016-02-11 US disclosed
US-9168257-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-10-27 US disclosed
WO-2014190163-A2 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-11-27 WO disclosed
US-20140350070-A1 Combination Therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2014-11-27 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 (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-20170087162-A1 COMBINATION THERAPY FOR MDS MCL1, IRAK4, IRAK3 BACE1 4163/4885RPS6KA5 1023/4885KDM4E 745/4885
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER IRAK1, IRAK4, IRAK2 BACE1 3922/4885RPS6KA5 641/4885KDM4E 2239/4885
US-20160038529-A1 COMBINATION THERAPY FOR MDS MCL1, IRAK4, IRAK3 BACE1 4163/4885RPS6KA5 1023/4885KDM4E 745/4885
US-20140350070-A1 Combination Therapy for MDS MCL1, IRAK4, IRAK3 BACE1 4163/4885RPS6KA5 1023/4885KDM4E 745/4885

“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.