SCHEMBL30052604

SCHEMBL30052604

CC1(C)OB(c2ccc3[nH]ccc3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.43
LIPG Q9Y5X9 10/20 0.43
AHR P35869 3/20 0.42
NR4A2 P43354 2/20 0.42
CYP2A6 P11509 2/20 0.42
F7 P08709 1/20 0.42
LTA4H P09960 1/20 0.42
F3 P13726 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RAD51 Q06609 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9918 1.00 LPL (0.43) LPLLIPGAHRNR4A2CYP2A6
SCHEMBL3792136 0.88 LIPG (0.60) LPLLIPGNPC1
SCHEMBL19669341 0.87 LPL (0.38) LPLLIPGAHRNR4A2CYP2A6
SCHEMBL13718 0.87 LPL (0.46) LPLLIPGAHRCYP2A6
SCHEMBL29513455 0.87 LPL (0.46) LPLLIPGAHRCYP2A6
SCHEMBL14983553 0.80 AHR (0.48) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL12457446 0.79 IMPDH2 (0.36) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL22202030 0.79 AHR (0.36) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL31023038 0.78 PRMT5 (0.41) LPLLIPG
SCHEMBL2172042 0.78 PRMT5 (0.41) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661539-A Pan KRAS inhibitors and uses thereof 上海交通大学 2025-03-21 CN disclosed
CN-113493407-B Pyridine compound and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-01-28 CN disclosed
US-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
CN-115427044-A Pyrrolopyrimidines as complement inhibitors 拜奥克里斯特制药公司 2022-12-02 CN 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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP LPL 1773/4885LIPG 984/4885AHR 1296/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE LPL 482/4885LIPG 122/4885AHR 2045/4885

“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.