SCHEMBL19987779

SCHEMBL19987779

CC(C)Cc1ncn(N)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CPB2 Q96IY4 5/20 0.34
CPB1 P15086 3/20 0.33
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
LMNA P02545 1/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2A P28223 1/20 0.31
AKR1C3 P42330 1/20 0.31
NR1I3 Q14994 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL20011314 0.70 CACNA2D1 (0.30)
SCHEMBL20164040 0.69 PKM (0.47) ALDH1A1PTGS1PTGS2LMNA
SCHEMBL13384290 0.65 TRPA1 (0.36) DPP4DPP8LMNA
SCHEMBL17423963 0.62 HPGD (0.38) DPP4DPP8DPP9ALDH1A1CPB2
SCHEMBL10441314 0.62 KDM4E (0.52) DPP4DPP8ALDH1A1PTGS1PTGS2
SCHEMBL15884425 0.62 GAA (0.36) DPP4DPP8PTGS1PTGS2LMNA
SCHEMBL22922739 0.61 KDM4E (0.52) ALDH1A1LMNACYP2C9
SCHEMBL31046821 0.61 PDE3B (0.38) DPP4ALDH1A1LMNAALOX5CXCR1
SCHEMBL31450552 0.60 PDE3B (0.38) PTGS1PTGS2LMNAALBESR1
SCHEMBL5739044 0.60 PDE3B (0.41) DPP4DPP8DPP9ALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 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

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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A DPP4 692/4885DPP8 495/4885DPP9 535/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A DPP4 692/4885DPP8 495/4885DPP9 535/4885

“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.