SCHEMBL22930624

SCHEMBL22930624

CC1(C)c2ccccc2-c2ccc(C(=N)/N=C(\N)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.39
▸ PDK2 Q15119 11/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ HTR7 P34969 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ F7 P08709 1/20 0.32

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
SCHEMBL17345759 0.95 WDR5 (0.39) WDR5PDK2GRIN2BHTR7HTR2B
SCHEMBL20204500 0.94 PDK2 (0.36) PDK2HTR7HTR2BF10F7
SCHEMBL25054534 0.91 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL17233969 0.81 PDK2 (0.38) PDK2HTR7HTR2BPRSS1PRSS2
SCHEMBL21937294 0.81 PRSS1 (0.36) WDR5PDK2GRIN2BHTR7HTR2B
SCHEMBL20404840 0.80 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3
SCHEMBL15811033 0.77 PDK2 (0.36) PDK2HTR7HTR2B
SCHEMBL17345727 0.77 PRSS1 (0.44) WDR5PDK2PRSS1PRSS2PRSS3
SCHEMBL21599352 0.77 WDR5 (0.59) WDR5GRIN2BPRSS1PRSS2PRSS3
SCHEMBL20405039 0.77 MCL1 (0.32) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-02-02 — — 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 (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-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same NR2E3, ALDH1A2, CRY1 WDR5 1790/4885PDK2 560/4885GRIN2B 717/4885

“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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