SCHEMBL20155296

SCHEMBL20155296

Cn1cc(-c2cnc(N)nc2NCC2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 13/20 0.60
BCDIN3D Q7Z5W3 1/20 0.52
GPR119 Q8TDV5 2/20 0.46
SYK P43405 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
IRAK4 Q9NWZ3 3/20 0.45
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL17764693 0.89 IRAK1 (0.60) IRAK1BCDIN3DGPR119SYKJAK2
SCHEMBL20155228 0.87 KDM4E (0.53) IRAK1BCDIN3DGPR119SYKUSP30
SCHEMBL20154900 0.86 IRAK1 (0.53) IRAK1GPR119IRAK4USP30
SCHEMBL22617552 0.85 TLR8 (0.51) IRAK1GPR119IRAK4
SCHEMBL17764613 0.84 IRAK1 (0.83) IRAK1IRAK4
SCHEMBL22617556 0.83 IRAK1 (0.51) IRAK1BCDIN3DGPR119SYK
SCHEMBL20154979 0.82 BCDIN3D (0.53) BCDIN3DGPR119SYK
SCHEMBL21299900 0.80 IRAK1 (0.55) IRAK1GPR119JAK3IRAK4USP30
SCHEMBL22617551 0.80 IRAK1 (0.55) IRAK1GPR119JAK3IRAK4USP30
SCHEMBL17764717 0.79 IRAK1 (0.74) IRAK1IRAK4USP30

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-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof ZHEJIANG UNIVERSITY (CN) 2020-11-03 US disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 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 (1 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-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof CHEK1, CHEK2, PLK1 IRAK1 679/4885BCDIN3D 2772/4885GPR119 3463/4885

“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.