SCHEMBL6576255

SCHEMBL6576255

CCn1cnc2c(Nc3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.74
ABL1 P00519 1/20 0.53
BTK Q06187 1/20 0.53
SRC P12931 1/20 0.51
MERTK Q12866 2/20 0.49
FLT3 P36888 1/20 0.49
PDGFRA P16234 1/20 0.47

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
SCHEMBL6576250 1.00 CDK1 (0.74) CDK1ABL1BTKSRCMERTK
SCHEMBL6576940 0.93 CDK1 (0.64) CDK1ABL1BTKSRCFLT3
SCHEMBL6576932 0.93 CDK1 (0.64) CDK1ABL1BTKSRCFLT3
SCHEMBL6574780 0.89 CDK1 (0.69) CDK1SRCPDGFRA
SCHEMBL6574778 0.89 CDK1 (0.69) CDK1SRCPDGFRA
SCHEMBL6574816 0.89 CDK1 (0.71) CDK1SRCPDGFRA
SCHEMBL6574896 0.89 CDK1 (0.71) CDK1SRCPDGFRA
SCHEMBL6574759 0.88 CDK1 (0.68) CDK1SRCMERTK
SCHEMBL6574755 0.88 CDK1 (0.68) CDK1SRCMERTK
SCHEMBL6576959 0.88 CDK1 (0.70) CDK1SRCPDGFRA

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-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP 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-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 CDK1 2/4885ABL1 230/4885BTK 278/4885

“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.