SCHEMBL20904428

SCHEMBL20904428

CN(C)c1c(N)ccc2c1NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ NEK2 P51955 1/20 0.30

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
SCHEMBL20904511 0.83 ALDH1A1 (0.44) SRCKDM4EALDH1A1LMNATP53
SCHEMBL20904524 0.80 KDM4E (0.37) SRCKDM4EALDH1A1LMNATP53
SCHEMBL20904510 0.77 SRC (0.36) SRCKDM4EALDH1A1LMNATP53
SCHEMBL20898048 0.77 SRC (0.36) SRCKDM4EALDH1A1LMNATP53
SCHEMBL22341667 0.77 SRC (0.38) SRCKDM4EALDH1A1LMNATP53
SCHEMBL20898042 0.75 SRC (0.38) SRCALDH1A1HSD17B10TDP1CA12
SCHEMBL22389359 0.74 PNMT (0.39) SRCKDM4EALDH1A1TP53GAA
SCHEMBL20898588 0.74 SRC (0.36) SRCKDM4EALDH1A1LMNATP53
SCHEMBL22341730 0.74 SRC (0.36) SRCKDM4EMAPTCA12CA1
SCHEMBL20898356 0.74 SRC (0.40) SRCKDM4EALDH1A1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-09-03 — — US disclosed
WO-2019072697-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2019-04-18 — — WO 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 (1 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-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION KRT18, TUBA1C, TPM4 SRC 2302/4885KDM4E 217/4885ALDH1A1 917/4885

“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.

Send feedback