SCHEMBL15035696

SCHEMBL15035696

C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)c(F)c3)nc2n(Cc2ccnn2S(=O)(=O)CCN(C)C)c1=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.35
JAK2 O60674 4/20 0.33
BRD4 O60885 2/20 0.32
JAK1 P23458 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
SRC P12931 1/20 0.32
TNK2 Q07912 2/20 0.31
CCNT1 O60563 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CCND3 P30281 2/20 0.31
CDK9 P50750 2/20 0.31
CDK6 Q00534 2/20 0.31

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
SCHEMBL15041400 0.94 JAK3 (0.36) JAK3JAK2BRD4JAK1BRD2
SCHEMBL15277140 0.91 JAK3 (0.35) JAK3SRCCDK4CCND1
SCHEMBL15280220 0.85 JAK3 (0.37) JAK3SRCCCNT1CDK4CCND1
SCHEMBL15035818 0.75 JAK3 (0.37) JAK3JAK1CDK4CCND1CCND3
SCHEMBL15035904 0.72 JAK3 (0.36) JAK3CDK4CCND1CCND3
SCHEMBL15034830 0.72 WEE1 (0.35) JAK3CCNT1CDK4CCND1CCND3
SCHEMBL15035929 0.71 CDK4 (0.36) JAK3JAK2BRD4JAK1BRD2
SCHEMBL15035045 0.71 JAK3 (0.35) JAK3JAK2JAK1CCNT1CDK4
SCHEMBL15036391 0.70 TNK2 (0.34) JAK3JAK2BRD4TNK2CCNT1
SCHEMBL15034944 0.69 JAK3 (0.35) JAK3JAK2JAK1CCNT1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885JAK2 720/4885BRD4 1003/4885

“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.