SCHEMBL17819625

SCHEMBL17819625

OCc1cncc(-n2cccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPK1 P28482 1/20 0.37
NAMPT P43490 2/20 0.36
RIPK2 O43353 1/20 0.35
KLKB1 P03952 2/20 0.35
KLK1 P06870 2/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
NLRP3 Q96P20 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL17828133 0.83 KDM4E (0.44) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL28079351 0.78 LMNA (0.61) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL29538864 0.77 NOTUM (0.42) NOTUMRIPK2
SCHEMBL533560 0.75 NOTUM (0.58) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL16419692 0.75 CYP2A6 (0.36) KDM4ERIPK2
SCHEMBL29933995 0.75 CYP2A6 (0.36) KDM4ERIPK2
SCHEMBL17819718 0.75 VHL (0.52) KDM4ERIPK2
SCHEMBL17781409 0.75 CYP2A6 (0.46) KDM4EALDH1A1MAPTRIPK2
SCHEMBL10153195 0.74 KDM4E (0.48) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL3346335 0.74 KDM4E (0.48) KDM4EALDH1A1LMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459321-B2 Broad spectrum antiviral compositions and methods EVRYS BIO, LLC (US) 2022-10-04 US disclosed
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods EVRYS BIO, LLC (US) 2021-05-13 US disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (3 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-11459321-B2 Broad spectrum antiviral compositions and methods IRF3, MAVS, ZC3HAV1 KDM4E 2307/4885ALDH1A1 2639/4885LMNA 2718/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 KDM4E 2666/4885ALDH1A1 2519/4885LMNA 2540/4885
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods MAVS, IRF3, ZC3HAV1 KDM4E 2604/4885ALDH1A1 2908/4885LMNA 3185/4885

“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.