Sugi Predict

Sugi Predict / Compounds / SCHEMBL1709778

SCHEMBL1709778

SCHEMBL1709778

Cn1ncc2cc(Nc3nc(N4CCC5(CCCNC5)CC4)c4occc4n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.38
▸ CDK8 P49336 3/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ SYK P43405 8/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ CDK19 Q9BWU1 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPA Q5VT25 1/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33

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
SCHEMBL1709894 0.95 SYK (0.41) CCNCCDK8CDK2MAPKAPK2SYK
SCHEMBL3699332 0.83 BRD4 (0.36) CCNCCDK8SYKCDC7TGFBR1
SCHEMBL3702853 0.82 BRD4 (0.38) CCNCCDK8SYKCDC7TGFBR1
SCHEMBL1709782 0.80 JAK2 (0.44) SYKROCK1CYP1A2CHEK1AURKA
SCHEMBL1709792 0.80 SYK (0.40) CDK8SYKROCK2ROCK1CDC42BPA
SCHEMBL1709843 0.79 SYK (0.45) SYKROCK2ROCK1CHEK1AURKA
SCHEMBL1709777 0.79 JAK2 (0.54) SYKROCK1CHEK1AURKAABL1
SCHEMBL3705361 0.79 SYK (0.54) SYKROCK2ROCK1CHEK1AURKA
SCHEMBL3705239 0.78 JAK2 (0.43) SYKABL1LCKFYNMAPK1
SCHEMBL3705447 0.77 CDC7 (0.38) CDK2MAPKAPK2SYKCDC7ROCK2

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 9 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 claimed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US claimed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 — — US disclosed
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
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 — — 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 CCNC 346/4885CDK8 38/4885CDK2 1/4885

“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.