SCHEMBL17828133

SCHEMBL17828133

CCc1cncc(-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
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
NLRP3 Q96P20 3/20 0.40
LMNA P02545 2/20 0.40
NOTUM Q6P988 1/20 0.40
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
MAPK1 P28482 1/20 0.37
BRS3 P32247 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MPO P05164 1/20 0.34

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
SCHEMBL17819625 0.83 KDM4E (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL327273 0.78 LMNA (0.57) MEN1MAPTKMT2APKMLMNA
SCHEMBL15884310 0.77 KDM4E (0.48) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL19984481 0.76 MAPT (0.36) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL179123 0.75 NOTUM (0.58) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL17827953 0.75 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL17828137 0.75 CYP2A6 (0.46) KDM4EALDH1A1MAPTBRS3
SCHEMBL14810661 0.74 CYP2C19 (0.54) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL3346335 0.74 KDM4E (0.48) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL30811699 0.74 KDM4E (0.48) KDM4EALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 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

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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 KDM4E 2666/4885ALDH1A1 2519/4885MEN1 772/4885
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 KDM4E 2710/4885ALDH1A1 3272/4885MEN1 1164/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885MEN1 4128/4885

“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.