SCHEMBL20154900

SCHEMBL20154900

Cn1cc(-c2cnc(N)nc2NC2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 7/20 0.53
IRAK4 Q9NWZ3 4/20 0.53
TYRO3 Q06418 4/20 0.51
GPR119 Q8TDV5 2/20 0.48
AXL P30530 2/20 0.48
MET P08581 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
MERTK Q12866 1/20 0.46
JAK1 P23458 1/20 0.45
USP30 Q70CQ3 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21299900 0.89 IRAK1 (0.55) IRAK1IRAK4TYRO3GPR119AXL
SCHEMBL22617551 0.89 IRAK1 (0.55) IRAK1IRAK4TYRO3GPR119AXL
SCHEMBL19465890 0.89 AXL (0.63) IRAK1IRAK4TYRO3GPR119AXL
SCHEMBL20155296 0.86 IRAK1 (0.60) IRAK1IRAK4GPR119USP30
SCHEMBL22617552 0.83 TLR8 (0.51) IRAK1IRAK4GPR119
SCHEMBL19465903 0.83 IRAK1 (0.78) IRAK1IRAK4
SCHEMBL21299938 0.81 GPR119 (0.50) GPR119JAK1ALDH1A1
SCHEMBL31524191 0.81 CNR1 (0.51) GPR119JAK1ALDH1A1
SCHEMBL20154982 0.81 ALDH1A1 (0.49) GPR119JAK1ALDH1A1
SCHEMBL22572925 0.76 ALDH1A1 (0.61) GPR119METPDE3BPDE3AJAK1

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 679/4885IRAK4 839/4885TYRO3 719/4885

“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.