SCHEMBL17321069

SCHEMBL17321069

Cc1coc2cc(Cl)c(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
AHR P35869 5/20 0.46
PTPN1 P18031 1/20 0.46
KCNA3 P22001 4/20 0.45
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
POLB P06746 1/20 0.39
KCNA2 P16389 1/20 0.38
KCNA1 Q09470 1/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1B1 P30837 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL19956965 0.89 PTPN1 (0.57) ALDH1A1KDM4EAHRPTPN1KCNA3
SCHEMBL28946833 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EAHRPTPN1KCNA3
SCHEMBL17321061 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL10981868 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL19248240 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL28047106 0.81 KCNA3 (0.44) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL19248241 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EKCNA3HSD17B10HPGD
SCHEMBL8404362 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL10982126 0.78 KCNA3 (0.41) ALDH1A1KDM4EPTPN1KCNA3HSD17B10
SCHEMBL11479169 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EPTPN1KCNA3HSD17B10

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-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 ALDH1A1 1868/4885KDM4E 1691/4885AHR 2104/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2883/4885KDM4E 1692/4885AHR 2576/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 ALDH1A1 1868/4885KDM4E 1691/4885AHR 2104/4885

“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.