SCHEMBL3759829

SCHEMBL3759829

CNC1CCN(C(=O)c2cccc(-c3nccc(-c4c(N5CCOCC5)sc5c4CC(C)(C)NC5=O)n3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
PIK3CA P42336 9/20 0.38
MTOR P42345 7/20 0.38
PIK3R1 P27986 1/20 0.38
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36

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
Acetic Acid SCHEMBL16161744 0.98 ROCK2 (0.37) ROCK2CCNT1CDK1CCNB1CCNA2
SCHEMBL3761744 0.92 PIK3CA (0.37) ROCK2CCNT1CDK1CCNB1CCNA2
SCHEMBL3756631 0.91 PIK3CA (0.43) ROCK2CCNT1CDK1CCNB1CCNA2
SCHEMBL3762227 0.89 PIK3CA (0.39) ROCK2CCNT1CDK1CCNB1CCNA2
SCHEMBL3769553 0.85 TGFBR1 (0.38) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL3765428 0.84 PIK3CA (0.36) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL3760593 0.82 PIK3CA (0.42) CDK1CCNB1PIK3CAMTORPIK3R1
SCHEMBL16161804 0.82 ATR (0.40) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL3760641 0.82 MTOR (0.39) PIK3CAMTORPLK4JAK2MAP4K4
SCHEMBL3756625 0.82 MTOR (0.39) PIK3CAMTORPLK4JAK2MAP4K4

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-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ROCK2 977/4885CCNT1 2349/4885CDK1 191/4885

“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.