SCHEMBL21591561

SCHEMBL21591561

COc1ccc(CCCNCc2ccncc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
NAMPT P43490 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CHRM2 P08172 1/20 0.43
FYN P06241 2/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.41
PLK1 P53350 1/20 0.40

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
SCHEMBL3265195 0.79 MEN1 (0.50) KDM4ENAMPTHTR2AHTR2CCHRM2
SCHEMBL10483960 0.77 MC4R (0.44) KDM4ENAMPTCHRM2PIK3CACYP3A4
SCHEMBL7993789 0.77 KDM1A (0.44) KDM4ENAMPTCHRM2PIK3CACYP2C19
SCHEMBL21591483 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGLACHRM2BCHE
SCHEMBL10484172 0.77 KDM1A (0.46) KDM4ENAMPTCHRM2PIK3CACYP3A4
SCHEMBL5008479 0.75 KDM1A (0.47) KDM4ENAMPTHTR2AHTR2CCHRM2
SCHEMBL21591437 0.74 NOS1 (0.54) ALDH1A1HTR2AHTR2CCHRM2NOS3
SCHEMBL21591441 0.74 CHRM2 (0.66) ALDH1A1CHRM2NOS1CYP2D6
Hydrochloric Acid SCHEMBL5012101 0.74 KDM1A (0.46) KDM4ENAMPTHTR2AHTR2CCHRM2
SCHEMBL21591525 0.74 LOX (0.46) ALDH1A1KDM4EGLAHTR2AHTR2C

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-12162863-B2 Modulators of stimulator of interferon genes (STING) Ryvu Therapeutics S.A. (PL) 2024-12-10 US disclosed
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-12-22 US disclosed
EP-3807264-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-04-21 EP disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 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 (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-12162863-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, CGAS ALDH1A1 4462/4885KDM4E 4414/4885GLA 3166/4885
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS ALDH1A1 4462/4885KDM4E 4414/4885GLA 3166/4885

“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.