SCHEMBL22003097

SCHEMBL22003097

C=Cc1cnc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
BTK Q06187 4/20 0.41
MAPK8 P45983 4/20 0.41
MAPK9 P45984 2/20 0.41
ADRA2A P08913 4/20 0.39
HRH1 P35367 4/20 0.39
HTR2B P41595 4/20 0.39
MCHR1 Q99705 4/20 0.39
JAK1 P23458 3/20 0.39
SYK P43405 2/20 0.39
JAK2 O60674 2/20 0.39
ADRA1A P35348 2/20 0.38
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL24220939 0.86 MERTK (0.48) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL29361761 0.86 MERTK (0.48) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL6459459 0.81 MERTK (0.46) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL6459470 0.81 MERTK (0.46) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL6464159 0.79 MCHR1 (0.64) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL6464155 0.79 MCHR1 (0.64) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL22570115 0.78 MERTK (0.45) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL28483806 0.78 MERTK (0.45) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL25042174 0.78 MERTK (0.45) MERTKKDM1AMAOBCKS1BSKP1
SCHEMBL25495372 0.77 CKS1B (0.42) MERTKKDM1AMAOBCKS1BSKP1

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-11021466-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-06-01 US disclosed
US-20200157079-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2020-05-21 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-20200157079-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 MERTK 2689/4885KDM1A 2007/4885MAOB 4686/4885
US-11021466-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 MERTK 2689/4885KDM1A 2007/4885MAOB 4686/4885

“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.