SCHEMBL18256013

SCHEMBL18256013

Cc1cnn(CC2CC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.46
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.35
PTGS2 P35354 2/20 0.35
KAT2B Q92831 1/20 0.35
NOTUM Q6P988 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 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
SCHEMBL19222887 0.91 PKM (0.49) CRHR1LMNAPKMMAPTKMT2A
SCHEMBL19222864 0.88 CRHR1 (0.40) CRHR1LMNAPKMEEDRBBP4
SCHEMBL19222890 0.81 CRHR1 (0.39) CRHR1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL26692283 0.81 LMNA (0.37) CRHR1LMNAPKML3MBTL1MAPT
SCHEMBL17076641 0.81 PKM (0.43) CRHR1LMNAPKML3MBTL1MAPT
SCHEMBL25590506 0.81 PTGS2 (0.38) CRHR1LMNAPKML3MBTL1MAPT
SCHEMBL6156218 0.74 PKM (0.48) CRHR1LMNAPKML3MBTL1MAPT
SCHEMBL14857868 0.74 PKM (0.44) LMNAPKMMAPTKMT2ANPBWR1
SCHEMBL17459025 0.73 PKM (0.54) LMNAPKMMAPTKMT2ANPBWR1
SCHEMBL20182563 0.72 LMNA (0.35) CRHR1LMNAL3MBTL1MAPTALDH1A1

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
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A CRHR1 2745/4885LMNA 2283/4885PKM 512/4885
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A CRHR1 2706/4885LMNA 2317/4885PKM 490/4885

“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.