SCHEMBL4122266

SCHEMBL4122266

COc1cc(OC)cc(N(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
BACE1 P56817 3/20 0.38
ACHE P22303 2/20 0.38
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
MCHR1 Q99705 2/20 0.37
BCHE P06276 2/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
HTR7 P34969 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
FYN P06241 1/20 0.35

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
Hydrochloric Acid SCHEMBL4121941 0.99 MEN1 (0.39) MEN1KMT2AHCRTR1HCRTR2JAK2
SCHEMBL13800198 0.95 HTR7 (0.43) MEN1KMT2AHCRTR1HCRTR2JAK2
SCHEMBL13800206 0.95 JAK2 (0.39) MEN1KMT2AHCRTR1HCRTR2JAK2
Hydrochloric Acid SCHEMBL4109498 0.94 HTR7 (0.42) MEN1KMT2AHCRTR1HCRTR2JAK2
Hydrochloric Acid SCHEMBL6207198 0.94 JAK2 (0.39) MEN1KMT2AHCRTR1HCRTR2JAK2
SCHEMBL13813559 0.94 HCRTR1 (0.36) MEN1KMT2AHCRTR1HCRTR2JAK2
SCHEMBL13800200 0.93 JAK2 (0.38) MEN1KMT2AHCRTR1HCRTR2JAK2
SCHEMBL13800433 0.93 KDM4E (0.40) HCRTR1HCRTR2JAK2JAK1BACE1
SCHEMBL5501016 0.93 CHRM2 (0.41) HCRTR1HCRTR2JAK2JAK1BACE1
Hydrochloric Acid SCHEMBL4116879 0.93 JAK2 (0.38) MEN1KMT2AHCRTR1HCRTR2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US claimed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US claimed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP claimed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US claimed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP claimed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO claimed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 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 (5 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 MEN1 4131/4885KMT2A 293/4885HCRTR1 235/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 MEN1 4312/4885KMT2A 2020/4885HCRTR1 318/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 MEN1 4312/4885KMT2A 2020/4885HCRTR1 318/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 MEN1 3648/4885KMT2A 2879/4885HCRTR1 365/4885
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KRT18, FGF1, AREG MEN1 2448/4885KMT2A 3621/4885HCRTR1 1562/4885

“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.