SCHEMBL20282901

SCHEMBL20282901

Cn1ncc(C=O)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ERN1 O75460 2/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1044002 0.82 CYP11B2 (0.41) SMN1; SMN2ALDH1A1POLBKDM4ENPC1
SCHEMBL170156 0.72
SCHEMBL14007281 0.71
SCHEMBL3670358 0.71
SCHEMBL2595267 0.71
SCHEMBL378249 0.71
SCHEMBL14242934 0.71
SCHEMBL12733936 0.70 CYP11B2 (0.32) KDM4E
SCHEMBL12733944 0.70 CYP11B2 (0.32)
SCHEMBL12253238 0.70 CYP11B2 (0.32) MEN1KMT2A

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
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 US disclosed
EP-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 EP disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA SMN1; SMN2 3858/4885ALDH1A1 273/4885POLB 4032/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA SMN1; SMN2 3592/4885ALDH1A1 523/4885POLB 4044/4885

“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.