SCHEMBL9943149

SCHEMBL9943149

CC1CN(Cc2c[nH]c3ncnc(Cl)c23)CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.42
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
SSTR4 P31391 2/20 0.35
SSTR1 P30872 1/20 0.35
MAP4K4 O95819 2/20 0.34

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
SCHEMBL9896857 0.97 BTK (0.40) BTKDRD2DRD4DRD3JAK2
SCHEMBL9896856 0.97 BTK (0.40) BTKDRD2DRD4DRD3JAK2
SCHEMBL9896860 0.97 BTK (0.40) BTKDRD2DRD4DRD3JAK2
SCHEMBL9943127 0.87 BTK (0.50) BTKDRD2JAK2JAK1
SCHEMBL9900265 0.86 BTK (0.42) BTKJAK3
SCHEMBL9900273 0.86 BTK (0.42) BTKJAK3
SCHEMBL9900267 0.86 BTK (0.42) BTKJAK3
SCHEMBL9898541 0.84 BTK (0.47) BTKJAK2JAK1JAK3
SCHEMBL9928287 0.80 CHEK1 (0.40) JAK2JAK1JAK3
SCHEMBL9943114 0.77 BTK (0.36) BTKDRD2DRD4DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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 (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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 BTK 50/4885DRD2 870/4885DRD4 644/4885

“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.