SCHEMBL21499258

SCHEMBL21499258

Cc1ccc2ccc(Cc3ccc4ccccc4n3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NQO2 P16083 1/20 0.50
ESR1 P03372 1/20 0.46
CYP2A6 P11509 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE10A Q9Y233 5/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
NCF1 P14598 1/20 0.44
LMNA P02545 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3267444 0.84 CYSLTR1 (0.57) CYP1A2ALDH1A1PDE10ACYSLTR1CYSLTR2
SCHEMBL30879956 0.84 CYSLTR1 (0.57) CYP1A2ALDH1A1PDE10ACYSLTR1CYSLTR2
SCHEMBL4938792 0.82 CYSLTR1 (0.55) CYP1A2ALDH1A1PDE10ACYSLTR1CYSLTR2
SCHEMBL19130544 0.82 CYP1A2 (0.49) CYP1A2ALDH1A1PDE10ACYSLTR1CYSLTR2
SCHEMBL6681790 0.79 NQO2 (0.65) CYP1A2ALDH1A1NQO2ESR1CYP2A6
Hydrochloric Acid SCHEMBL29033530 0.77 NQO2 (0.63) CYP1A2ALDH1A1NQO2ESR1CYP2A6
SCHEMBL16284370 0.77 CYP1A2 (0.57) CYP1A2ALDH1A1NQO2ESR1CYP2A6
Iodide SCHEMBL27917416 0.77 NQO2 (0.63) CYP1A2ALDH1A1NQO2ESR1CYP2A6
Iodide SCHEMBL1353852 0.77 NQO2 (0.63) CYP1A2ALDH1A1NQO2ESR1CYP2A6
SCHEMBL6586916 0.76 KMT2A (0.56) CYP1A2ALDH1A1NQO2ESR1CYP2A6

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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 CYP1A2 2852/4885ALDH1A1 1909/4885NQO2 2684/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 CYP1A2 2852/4885ALDH1A1 1909/4885NQO2 2684/4885

“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.