SCHEMBL19607693

SCHEMBL19607693

CN1c2ncn(CC3CC3)c2C(=O)NC1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.43
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
BRD4 O60885 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
KDM4C Q9H3R0 2/20 0.32
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL19035767 0.77 GDA (0.30)
SCHEMBL21527507 0.74 BRD4 (0.35) BRD4
SCHEMBL20105842 0.73 CYP11B2 (0.42) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL20206036 0.72 HCAR3 (0.32) TGFBR1TGFBR2
SCHEMBL21316872 0.69 CYP11B2 (0.42) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL24611653 0.67 CYP11B2 (0.38) CYP11B2GABRG2GABRB3GABRA5
SCHEMBL19607616 0.67 CYP11B2 (0.38) CYP11B2GABRG2GABRB3GABRA5
SCHEMBL19607609 0.65 CYP11B2 (0.34) CYP11B2MAPK13MAPK12MAPK11MAPK14
SCHEMBL20205954 0.65 CYP11B2 (0.47) CYP11B2BRD4BAZ2A
SCHEMBL19607694 0.65 CYP11B2 (0.33) CYP11B2MAPK13MAPK12MAPK11MAPK14

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 2 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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 (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 CYP11B2 77/4885MAPK13 1280/4885MAPK12 1163/4885
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A CYP11B2 198/4885MAPK13 1863/4885MAPK12 1231/4885

“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.