SCHEMBL18743015

SCHEMBL18743015

Cc1cc(-c2ccc(CNc3nccc(N4CCc5ccccc5C4)n3)cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 7/20 0.53
▸ GRIN3B O60391 7/20 0.53
▸ GRIN1 Q05586 7/20 0.53
▸ GRIN2A Q12879 7/20 0.53
▸ GRIN2B Q13224 7/20 0.53
▸ GRIN2C Q14957 7/20 0.53
▸ GRIN3A Q8TCU5 7/20 0.53
▸ WNT3A P56704 7/20 0.47
▸ CHRM1 P11229 5/20 0.45
▸ ADRA1D P25100 5/20 0.45
▸ ADRA1A P35348 5/20 0.45
▸ ADRA1B P35368 5/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NR2C2 P49116 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ TAB1 Q15750 1/20 0.45
▸ ADAMTS4 O75173 2/20 0.44
▸ KDM6B O15054 1/20 0.43
▸ ADRA2B P18089 1/20 0.43

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
SCHEMBL18743016 0.90 WNT3A (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18742944 0.85 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18742946 0.81 HRH4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18742923 0.81 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18743498 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23396885 0.78 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2954351 0.75 MKNK1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18743018 0.74 ACHE (0.48) WNT3A
SCHEMBL23397116 0.73 ADAMTS4 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2954481 0.73 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 — — EP disclosed
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
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 — — 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 GRIN2D 3906/4885GRIN3B 3783/4885GRIN1 2490/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 GRIN2D 3906/4885GRIN3B 3783/4885GRIN1 2490/4885

“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.

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