SCHEMBL15041401

SCHEMBL15041401

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1Cc1cncnc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.37
CHEK1 O14757 7/20 0.36
IDH2 P48735 1/20 0.34
PTK2 Q05397 1/20 0.34
CCNK O75909 3/20 0.33
CDK12 Q9NYV4 3/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
CCNT1 O60563 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
METAP2 P50579 1/20 0.33
NTRK1 P04629 3/20 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
SCHEMBL15035713 0.94 PTK2 (0.37) FLT3CHEK1IDH2PTK2CCNK
SCHEMBL15041397 0.82 CDK2 (0.35) FLT3CHEK1CCNKCDK12CDK7
SCHEMBL15041455 0.82 CDK4 (0.36) FLT3CCNKCDK12CDK4CDK6
SCHEMBL15035920 0.81 CDK4 (0.37) FLT3CCNKCDK12CDK7CCNH
SCHEMBL15035060 0.78 CDK2 (0.37) FLT3CHEK1PTK2CCNKCDK12
SCHEMBL15035654 0.77 JAK2 (0.35) CHEK1IDH2CDK4CDK6CCNE1
SCHEMBL15242121 0.77 PRKCI (0.40) CDK4CDK6CDK2
SCHEMBL15236999 0.77 PRKCI (0.38) CDK4CDK6CDK2
SCHEMBL15034956 0.76 IRAK4 (0.35) FLT3CHEK1PTK2CCNKCDK12
SCHEMBL15035835 0.76 CDK7 (0.40) FLT3PTK2CCNKCDK12CDK7

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 FLT3 618/4885CHEK1 855/4885IDH2 1104/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FLT3 811/4885CHEK1 212/4885IDH2 2222/4885

“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.