SCHEMBL15034846

SCHEMBL15034846

CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5ccsc5-c5ccncc5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.37
PAK3 O75914 2/20 0.37
PAK1 Q13153 2/20 0.37
PAK2 Q13177 2/20 0.37
PKN1 Q16512 1/20 0.37
BRAF P15056 3/20 0.36
JAK3 P52333 2/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
PIK3CD O00329 1/20 0.35
PRKAB2 O43741 1/20 0.35
NUAK1 O60285 1/20 0.35
CCNT1 O60563 1/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL15237006 0.90 BRAF (0.36) TNK2PAK3PAK1PAK2PKN1
SCHEMBL15035059 0.88 BRAF (0.36) TNK2PKN1BRAFJAK3CDK4
SCHEMBL15277171 0.83 JAK3 (0.33) TNK2BRAFJAK3CDK4CCND1
SCHEMBL15035830 0.81 JAK3 (0.37) JAK3CDK4CCND1PIK3CDPRKAB2
SCHEMBL15035709 0.80 JAK3 (0.37) TNK2PAK1PKN1JAK3CDK4
SCHEMBL15034955 0.80 JAK3 (0.37) TNK2PKN1JAK3CDK4CCND1
SCHEMBL15034894 0.76
SCHEMBL15035373 0.74 CDK4 (0.39) TNK2PAK1PKN1CDK4CCND1
SCHEMBL15035471 0.74 CDK4 (0.43) TNK2PAK1PKN1CDK4CCND1
SCHEMBL15035923 0.74 CAMK2D (0.37) TNK2BRAFJAK3CDK4CCND1

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (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 TNK2 7/4885PAK3 6/4885PAK1 4/4885

“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.