SCHEMBL20997809

SCHEMBL20997809

c1ccc(-c2cnccc2-c2ccncc2N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.38
CYP46A1 Q9Y6A2 3/20 0.33
TNF P01375 1/20 0.33
CYP1A2 P05177 8/20 0.33
CYP2E1 P05181 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C8 P10632 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2A6 P11509 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2B6 P20813 3/20 0.33
CYP2C19 P33261 3/20 0.33
LIMK1 P53667 1/20 0.32
CYP17A1 P05093 5/20 0.32
KDR P35968 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL20997813 0.89 DYRK1A (0.36) RPS6KA3CYP46A1TNFCYP1A2CYP2E1
SCHEMBL20997811 0.82 CYP11B1 (0.37) CYP1A2CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL21928016 0.78 ATR (0.33) CYP1A2CYP3A4CHRNB2CHRNA3SLC22A12
SCHEMBL21927754 0.76 UCHL1 (0.37) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL21927763 0.76 MEN1 (0.34) CYP1A2CYP3A4CHRNB2CHRNA3SLC22A12
SCHEMBL21927451 0.76 PDE10A (0.36) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL20022915 0.75 ALDH1A1 (0.36)
SCHEMBL20022920 0.74 MGLL (0.35)
SCHEMBL20997810 0.74 NOTUM (0.35) RPS6KA3TNFKDRKCNH2DYRK1A
SCHEMBL21692148 0.72 RPS6KA3 (0.59) RPS6KA3CYP46A1TNFCYP1A2CYP2E1

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-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-24 US disclosed
US-20190148652-A1 NITROGEN-CONTAINING COMPOUND-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-16 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-20190148652-A1 NITROGEN-CONTAINING COMPOUND-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME L1CAM, C1S, CHRM1 RPS6KA3 3925/4885CYP46A1 4575/4885TNF 4724/4885
US-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same L1CAM, C1S, CHRM1 RPS6KA3 3925/4885CYP46A1 4575/4885TNF 4724/4885

“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.