SCHEMBL4276955

SCHEMBL4276955

COc1cc(-c2cncc(CN(c3ccc(SC)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
TGFBR1 P36897 2/20 0.35
ACVR1 Q04771 2/20 0.35
HTR7 P34969 1/20 0.35
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ACVR1B P36896 1/20 0.33
BCHE P06276 1/20 0.32

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 SCHEMBL7217516 0.99 JAK2 (0.36) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL13800549 0.97 TGFBR1 (0.37) JAK2JAK1TYK2JAK3TGFBR1
Hydrochloric Acid SCHEMBL7218547 0.96 TGFBR1 (0.37) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL4122518 0.94 WNK1 (0.37) JAK2JAK1TYK2JAK3HTR7
SCHEMBL3484870 0.92 CYP3A4 (0.40) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL13800542 0.92 HCRTR1 (0.37) JAK2JAK1TYK2JAK3TGFBR1
Hydrochloric Acid SCHEMBL4111147 0.92 CYP3A4 (0.39) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL13800585 0.92 JAK2 (0.39) JAK2JAK1TYK2JAK3TGFBR1
Hydrochloric Acid SCHEMBL7223475 0.91 HCRTR1 (0.36) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL13800563 0.91 TGFBR1 (0.40) TGFBR1ACVR1HTR7ACHEBACE1

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 10 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

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 JAK2 2487/4885JAK1 4594/4885TYK2 2041/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 JAK2 153/4885JAK1 1998/4885TYK2 1243/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 JAK2 153/4885JAK1 1998/4885TYK2 1243/4885
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KRT18, FGF1, AREG JAK2 2459/4885JAK1 1473/4885TYK2 3652/4885

“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.