SCHEMBL18864372

SCHEMBL18864372

CCC(CC)Cc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.37
TRPA1 O75762 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 2/20 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
SCHEMBL1677870 0.87 LOXL2 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL19120636 0.87 LMNA (0.42) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL8013843 0.84 BDKRB2 (0.42) CYP3A4CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL25028181 0.82 LMNA (0.45) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL21103656 0.81 PRSS1 (0.40) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8294943 0.79 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL28264046 0.79 BDKRB2 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL6938911 0.77 SLC6A4 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL8510037 0.77 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL1677843 0.76 LOXL2 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-9744164-B2 Neuroprotective polyphenol analogs SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-29 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 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-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP3A4 3814/4885CYP1A2 2611/4885CYP2C9 2743/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP3A4 3814/4885CYP1A2 2611/4885CYP2C9 2743/4885

“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.