SCHEMBL2570653

SCHEMBL2570653

CN(C)C(=O)c1cccc(-c2ccc(CNC(=O)O)cc2OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.50
▸ PTGER1 P34995 6/20 0.48
▸ CYP11B1 P15538 3/20 0.48
▸ CYP11B2 P19099 3/20 0.48
▸ IGF1R P08069 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PTGER4 P35408 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ PTGER2 P43116 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42

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
SCHEMBL2572410 0.89 BRD4 (0.46) BRD4PTGER1CYP11B1CYP11B2IGF1R
Hydrochloric Acid SCHEMBL2569165 0.85 PTGER1 (0.50) BRD4PTGER1CYP11B1CYP11B2IGF1R
SCHEMBL2569485 0.76 LMNA (0.48) BRD4NPC1RAB9AEGFR
SCHEMBL2806364 0.75 ROCK2 (0.53) BRD4ROCK2ROCK1
SCHEMBL2564130 0.74 KDM4E (0.56) ROCK2ROCK1CYP2C9EGFR
SCHEMBL2570606 0.71 RXRA (0.62) PTGER1NPC1RAB9ACYP2C9PTGER4
SCHEMBL2567972 0.71 HTT (0.47) CYP2C9EGFRRXRARXRBRXRG
SCHEMBL2572286 0.71 L3MBTL1 (0.50) EGFR
SCHEMBL2564333 0.71 CCR6 (0.43) NPC1PKMRAB9ACYP2C9EGFR
SCHEMBL2571224 0.70 KDM4E (0.56) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 — — EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 — — US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 — — US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 — — 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 BRD4 3760/4885PTGER1 3921/4885CYP11B1 1018/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP BRD4 3272/4885PTGER1 3663/4885CYP11B1 864/4885

“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.

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