SCHEMBL3484870

SCHEMBL3484870

COc1ccc(N(Cc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
CCR5 P51681 6/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HTR7 P34969 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 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 SCHEMBL4111147 0.99 CYP3A4 (0.39) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13800335 0.98 CYP3A4 (0.39) CYP3A4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL7218578 0.97 CYP3A4 (0.39) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13813617 0.95 CYP3A4 (0.38) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13800898 0.95 DRD2 (0.40) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13800360 0.94 JAK2 (0.36) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13800585 0.94 JAK2 (0.39) CYP3A4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL4132310 0.94 DRD2 (0.40) CYP3A4JAK2JAK1CCR5CHRM2
Hydrochloric Acid SCHEMBL7217743 0.94 JAK2 (0.36) CYP3A4JAK2JAK1TYK2JAK3
SCHEMBL13800663 0.94 JAK2 (0.38) CYP3A4JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016358-A1 GAMMA-GLOBIN INDUCER KOWA CO., LTD. (JP) 2010-01-21 US claimed
EP-2080759-A1 GAMA-GLOBIN INDUCER Kowa Company, Ltd. (JP) 2009-07-22 EP claimed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US claimed
US-20070043078-A1 Angiogenesis inhibitor KOWA CO., LTD. (JP) 2007-02-22 US claimed
EP-1674100-A1 ANGIOGENESIS INHIBITOR Kowa Co., Ltd. (JP) 2006-06-28 EP 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
EP-2678339-B1 Methods and compositions for treating beta-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2016-07-13 EP disclosed
US-20100016358-A1 GAMMA-GLOBIN INDUCER KOWA CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016358-A1 GAMMA-GLOBIN INDUCER KOWA CO., LTD. (JP) 2010-01-21 US disclosed
EP-2080759-A1 GAMA-GLOBIN INDUCER Kowa Company, Ltd. (JP) 2009-07-22 EP disclosed
EP-2080759-A1 GAMA-GLOBIN INDUCER Kowa Company, Ltd. (JP) 2009-07-22 EP disclosed
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
JP-2007063163-A COMPOSITION CONTAINING SPARINGLY WATER-SOLUBLE PIPERIDINE DERIVATIVE OR ITS SALT AND METHOD FOR PRODUCING THE SAME KOWA CO 2007-03-15 JP disclosed
US-20070043078-A1 Angiogenesis inhibitor KOWA CO., LTD. (JP) 2007-02-22 US disclosed
EP-1674100-A1 ANGIOGENESIS INHIBITOR Kowa Co., Ltd. (JP) 2006-06-28 EP 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 CYP3A4 1615/4885JAK2 2487/4885JAK1 4594/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 CYP3A4 3032/4885JAK2 153/4885JAK1 1998/4885
US-20070043078-A1 Angiogenesis inhibitor FLT4, FLT1, KDR CYP3A4 1362/4885JAK2 653/4885JAK1 1622/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CYP3A4 3032/4885JAK2 153/4885JAK1 1998/4885

“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.