SCHEMBL10156154

SCHEMBL10156154

CCc1ncc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
IGF1R P08069 1/20 0.49
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
JAK3 P52333 14/20 0.47
PTK2 Q05397 12/20 0.47
JAK2 O60674 11/20 0.47
LCK P06239 2/20 0.47
BTK Q06187 1/20 0.47
WNT3A P56704 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL10157513 0.85 EML4 (0.53) NAMPTIGF1RDDB1CRBNJAK3
SCHEMBL328440 0.82 EML4 (0.54) NAMPTIGF1RJAK3PTK2JAK2
SCHEMBL10156169 0.81 EML4 (0.46) PTK2
SCHEMBL10206189 0.76 PTK2 (0.54) NAMPTIGF1RJAK3PTK2JAK2
SCHEMBL17630908 0.76 IGF1R (0.54) NAMPTIGF1RDDB1CRBNJAK3
SCHEMBL21965379 0.74 NAMPT (0.66) NAMPTIGF1RDDB1CRBNJAK3
SCHEMBL28041286 0.74 PTK2 (0.56) IGF1RJAK3PTK2JAK2
SCHEMBL21946817 0.74 JAK3 (0.59) NAMPTIGF1RDDB1CRBNJAK3
SCHEMBL21946815 0.74 JAK3 (0.62) NAMPTIGF1RDDB1CRBNJAK3
SCHEMBL6917548 0.73 NAMPT (0.67) NAMPTIGF1RDDB1CRBNJAK3

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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NAMPT 1441/4885IGF1R 1399/4885DDB1 422/4885

“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.