SCHEMBL11611405

SCHEMBL11611405

CCc1cnc(N)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL24329197 0.78 CYP2A6 (0.41) KDM4ENOS3NOS1NOS2ALDH1A1
SCHEMBL12014830 0.78 PDE10A (0.42) NOS3NOS1NOS2ALDH1A1MAPK1
SCHEMBL17697522 0.77 NOS2 (0.46) KDM4ENOS3NOS1NOS2F12
SCHEMBL23795349 0.76 GABRA1 (0.40) NOS3NOS1NOS2AURKAALDH1A1
SCHEMBL11815604 0.76 PDE4A (0.39) KDM4ENOS3NOS1NOS2ALDH1A1
SCHEMBL28220550 0.73 KDM4E (0.45) KDM4ENOS3NOS1NOS2PI4KA
SCHEMBL22114195 0.73 ATM (0.47) KDM4EALDH1A1GAAHPGD
SCHEMBL21939927 0.73 SLC6A2 (0.36) KDM4EAURKAALDH1A1HPGD
SCHEMBL12070709 0.72 PLAU (0.52) KDM4ENOS3NOS1NOS2PI4KA
SCHEMBL11017038 0.72 POLB (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113705-A1 IMPROVED METHODS OF MANUFACTURING PEPTIDE-BASED VACCINES AVIDEA TECHNOLOGIES, INC. (US) 2021-04-22 — — US disclosed
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 — — EP disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 — — US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 — — US disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 — — WO disclosed
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 — — CN disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 — — CN disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 — — 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-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885NOS3 3317/4885NOS1 3883/4885
US-20210113705-A1 IMPROVED METHODS OF MANUFACTURING PEPTIDE-BASED VACCINES VIP, HM13, SPPL2B KDM4E 4718/4885NOS3 3115/4885NOS1 3885/4885

“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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