Sugi Predict

Sugi Predict / Compounds / SCHEMBL3676641

SCHEMBL3676641

SCHEMBL3676641

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 1.00
▸ CDK8 P49336 2/20 1.00
▸ CDK1 P06493 1/20 1.00
▸ SRC P12931 7/20 0.73
▸ ABL1 P00519 7/20 0.69
▸ KDR P35968 4/20 0.64
▸ FGFR4 P22455 6/20 0.62
▸ RET P07949 2/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ BCR P11274 2/20 0.60
▸ MKNK1 Q9BUB5 2/20 0.60
▸ MKNK2 Q9HBH9 2/20 0.60
▸ EGFR P00533 2/20 0.60
▸ BRAF P15056 2/20 0.60
▸ STK25 O00506 1/20 0.60
▸ CIT O14578 1/20 0.60
▸ MAP2K7 O14733 1/20 0.60
▸ IKBKB O14920 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ GAK O14976 1/20 0.60

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
SCHEMBL29678277 1.00 CDK2 (1.00) CDK2CDK8CDK1SRCABL1
SCHEMBL3681671 0.93 CDK2 (0.88) CDK2CDK8CDK1SRCABL1
SCHEMBL29678397 0.93 CDK2 (0.88) CDK2CDK8CDK1SRCABL1
SCHEMBL4937809 0.92 CDK2 (0.85) CDK2CDK8CDK1SRCABL1
SCHEMBL4931472 0.91 CDK2 (0.84) CDK2CDK8CDK1SRCABL1
SCHEMBL4936685 0.90 CDK8 (0.82) CDK2CDK8CDK1SRCABL1
SCHEMBL13991160 0.90 CDK2 (0.82) CDK2CDK8CDK1SRCABL1
SCHEMBL29827937 0.86 CDK2 (0.75) CDK2CDK8CDK1SRCABL1
SCHEMBL4769220 0.86 CDK2 (0.75) CDK2CDK8CDK1SRCABL1
SCHEMBL21910051 0.86 CDK2 (0.75) CDK2CDK8CDK1SRCABL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 — — US claimed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 — — US claimed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 — — US claimed
US-20080207591-A1 Organic Compounds MANLEY PAUL W 2008-08-28 — — US claimed
EP-1954278-A2 COMBINATION COMPRISING A PYRIMIDYLAMINOBENZAMIDES AND A FLT-3 INHIBITOR FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2008-08-13 — — EP claimed
EP-1885352-A2 COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS Novartis AG (US) 2008-02-13 — — EP claimed
WO-2007010013-A2 COMBINATION COMPRISING A PYRIMIDYLAMINOBENZAMIDES AND A FLT-3 INHIBITOR FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2007-01-25 — — WO claimed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 — — WO claimed
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 — — WO disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 — — US disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 — — US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 — — US disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 — — US disclosed
EP-1954278-A2 COMBINATION COMPRISING A PYRIMIDYLAMINOBENZAMIDES AND A FLT-3 INHIBITOR FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2008-08-13 — — EP disclosed
EP-1885352-A2 COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS Novartis AG (US) 2008-02-13 — — EP disclosed
WO-2007010013-A2 COMBINATION COMPRISING A PYRIMIDYLAMINOBENZAMIDES AND A FLT-3 INHIBITOR FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2007-01-25 — — WO disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 — — EP disclosed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 — — WO disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 — — 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 (5 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 CDK2 308/4885CDK8 651/4885CDK1 401/4885
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA CDK2 83/4885CDK8 170/4885CDK1 190/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 CDK2 308/4885CDK8 651/4885CDK1 401/4885
US-20080207591-A1 Organic Compounds FLT4, FLT1, FLT3 CDK2 34/4885CDK8 116/4885CDK1 77/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 CDK2 158/4885CDK8 364/4885CDK1 245/4885

“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.