SCHEMBL3763716

SCHEMBL3763716

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)N5CCCC5)c4)c3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.40
ATRIP Q8WXE1 1/20 0.40
MTOR P42345 3/20 0.39
PIK3CA P42336 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK1G2 P78368 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
NTRK3 Q16288 1/20 0.38

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
SCHEMBL3756825 0.99 ATR (0.41) ATRATRIPMTORPIK3CAKDM4E
SCHEMBL3767531 0.94 PIK3CA (0.46) MTORPIK3CAKDM4EPLK4JAK2
SCHEMBL3761528 0.93 PLK4 (0.38) ATRATRIPMTORPIK3CAKDM4E
SCHEMBL3765983 0.92 PIK3CA (0.38) ATRMTORPIK3CAKDM4EPLK4
SCHEMBL3762352 0.91 PIK3CA (0.37) ATRMTORPIK3CAKDM4EPLK4
SCHEMBL3759686 0.91 PIK3CA (0.38) MTORPIK3CAKDM4EPLK4JAK2
SCHEMBL3762759 0.90 PRKDC (0.40) PIK3CAKDM4ERAB9APIK3CDNPC1
SCHEMBL3761577 0.90 PRKDC (0.42) PIK3CARAB9APIK3CDNPC1ALDH1A1
SCHEMBL3762573 0.90 HPGD (0.46) MTORPIK3CAKDM4EPLK4JAK2
SCHEMBL3765061 0.90 CCNT1 (0.36) MTORPIK3CAKDM4EPLK4JAK2

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 ATR 540/4885ATRIP 1252/4885MTOR 7/4885

“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.