SCHEMBL3711314

SCHEMBL3711314

CN(C(=O)O)C1CCN(c2nc(Nc3ccc(N4CCOCC4)c(Cl)c3)nc3ccoc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.53
▸ ABL1 P00519 4/20 0.53
▸ RET P07949 4/20 0.53
▸ MAPK8 P45983 4/20 0.53
▸ MAP4K2 Q12851 4/20 0.53
▸ NTRK2 Q16620 4/20 0.53
▸ SYK P43405 3/20 0.53
▸ TNK2 Q07912 3/20 0.53
▸ LCK P06239 2/20 0.53
▸ FYN P06241 2/20 0.53
▸ INSR P06213 1/20 0.53
▸ MST1 P26927 1/20 0.53
▸ TTK P33981 1/20 0.53
▸ LRRK2 Q5S007 4/20 0.45
▸ PAK4 O96013 3/20 0.45
▸ LTK P29376 3/20 0.45
▸ MAP2K1 Q02750 3/20 0.45
▸ MST1R Q04912 3/20 0.45
▸ PTK2 Q05397 3/20 0.45
▸ ROCK1 Q13464 3/20 0.45

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
SCHEMBL3711317 0.85 JAK2 (0.56) JAK2ABL1RETMAPK8MAP4K2
SCHEMBL1709934 0.82 JAK2 (0.60) JAK2ABL1RETMAPK8MAP4K2
SCHEMBL3708291 0.82 JAK2 (0.53) JAK2ABL1RETMAPK8MAP4K2
SCHEMBL3707445 0.81 TRPV1 (0.40) JAK2ABL1RETMAPK8MAP4K2
SCHEMBL3707735 0.80 LMNA (0.39) SYKLRRK2SMN1; SMN2TSHRTDP1
SCHEMBL3712744 0.80 SYK (0.37) SYKKDRJAK3TBK1ALDH1A1
SCHEMBL3710081 0.80 JAK3 (0.44) JAK2SYKALKCDK7AURKA
SCHEMBL3706179 0.79 PIK3R1 (0.43) JAK2LRRK2
SCHEMBL3707381 0.79 JAK2 (0.57) JAK2ABL1RETMAPK8MAP4K2
SCHEMBL3702367 0.79 JAK2 (0.53) JAK2ABL1RETMAPK8MAP4K2

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-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 JAK2 218/4885ABL1 418/4885RET 134/4885

“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.

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