SCHEMBL22388247

SCHEMBL22388247

CCCc1ccnc(NC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.44
MAPK8 P45983 3/20 0.43
SREBF2 Q12772 1/20 0.43
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 1/20 0.39
HTR7 P34969 2/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
MAP2K2 P36507 1/20 0.38
CDK7 P50613 1/20 0.38
MAPK9 P45984 2/20 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
SCHEMBL15357780 0.86 HRH4 (0.46) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL22387976 0.81 HRH4 (0.45) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL12411105 0.81 HRH4 (0.45) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL28112390 0.80 PDE6D (0.39) SREBF2SYKMAPK9KDM4ELMNA
SCHEMBL12411123 0.78 HRH4 (0.43) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL12411110 0.78 HRH4 (0.43) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL12411089 0.78 HRH4 (0.43) HRH4MAPK8SYKMEN1CYP1A2
SCHEMBL1231968 0.76 KCNH2 (0.44) SYKHTR7
SCHEMBL7988856 0.74 HRH4 (0.50) HRH4MAPK8SYKMAPK9MAPK10
SCHEMBL12844416 0.73 MERTK (0.45) HRH4MAPK8CDK4CCND1MAPK9

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-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 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-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 HRH4 4071/4885MAPK8 1969/4885SREBF2 1928/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 HRH4 4071/4885MAPK8 1969/4885SREBF2 1928/4885

“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.