SCHEMBL20733909

SCHEMBL20733909

CC(Cc1nc(C(C)(C)C)cs1)c1cncs1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
STAT1 P42224 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21928857 0.79 MEN1 (0.32) ALDH1A1
SCHEMBL19575790 0.71 HTR1A (0.33) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL12310544 0.67
SCHEMBL2608448 0.67 LMNA (0.43) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL5767335 0.66
SCHEMBL5775322 0.66 HTR1A (0.41) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL2736380 0.66 HTR1A (0.41) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL4573687 0.66 HTR1A (0.41) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL5908628 0.66 HTR1A (0.41) CCR4HTR1AHTR2AHTR7ALDH1A1
SCHEMBL28170638 0.66

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-11130754-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-28 US disclosed
US-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2019-02-14 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-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 CCR4 3850/4885HTR1A 2188/4885HTR2A 1583/4885
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 CCR4 3577/4885HTR1A 3511/4885HTR2A 2820/4885

“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.