Sugi Predict

Sugi Predict / Compounds / SCHEMBL2522284

SCHEMBL2522284

SCHEMBL2522284

CC(Nc1nc(Cl)ncc1C(F)(F)F)C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ CDK1 P06493 8/20 0.35
▸ CDK2 P24941 8/20 0.35
▸ KDR P35968 7/20 0.35
▸ AURKA O14965 1/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CCNT2 O60583 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ ATF1 P18846 1/20 0.33
▸ XPO1 O14980 1/20 0.33
▸ JUN P05412 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
SCHEMBL2148905 1.00 LRRK2 (0.37) LRRK2CYP1A2CDK1CDK2KDR
SCHEMBL27228246 0.84 LRRK2 (0.38) LRRK2CYP1A2CDK1CDK2AURKA
SCHEMBL30860873 0.84 LRRK2 (0.38) LRRK2CYP1A2CDK1CDK2AURKA
SCHEMBL1774548 0.82 CDK1 (0.47) LRRK2CYP1A2CDK1CDK2KDR
SCHEMBL14140885 0.82 CDK1 (0.47) LRRK2CYP1A2CDK1CDK2KDR
SCHEMBL1774455 0.81 KDR (0.51) CDK1CDK2KDR
SCHEMBL1774456 0.81 KDR (0.51) CDK1CDK2KDR
SCHEMBL31081933 0.79 TRPM8 (0.37) LRRK2CYP1A2CDK1CDK2AURKA
SCHEMBL26664440 0.79 TRPM8 (0.37) LRRK2CYP1A2CDK1CDK2AURKA
SCHEMBL29107804 0.77 LRRK2 (0.35) LRRK2CYP1A2AURKANFKB1ATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 — — US disclosed
US-8735412-B2 Sulfoximine-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-27 — — US disclosed
US-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 — — US disclosed
US-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — 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 (2 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-20110294838-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE CDK6, CDK4, CDK9 LRRK2 2685/4885CYP1A2 640/4885CDK1 6/4885
US-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE CDK6, CDK4, CDK2 LRRK2 2322/4885CYP1A2 760/4885CDK1 9/4885

“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.