SCHEMBL3765032

SCHEMBL3765032

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)NC5CN(C(=O)O)C5)c4)c3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
SCN9A Q15858 3/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
BUB1 O43683 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
SCN5A Q14524 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP30 Q70CQ3 2/20 0.34
JAK2 O60674 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RIPK2 O43353 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL3758952 0.95 CYP2C19 (0.38) MAPK14SCN9AATRATRIPBUB1
SCHEMBL3757464 0.91 BUB1 (0.34) BUB1KDM1AHDAC1ALDH1A1PIK3CA
SCHEMBL3760654 0.90 PIK3CA (0.36) SCN9AATRBUB1KDM1AHDAC1
SCHEMBL3756615 0.90 ATR (0.38) MAPK14SCN9AATRATRIPBUB1
SCHEMBL3762759 0.88 PRKDC (0.40) SCN9ABUB1KDM1AHDAC1NPC1
SCHEMBL3764901 0.88 PIK3CA (0.41) SCN9AATRATRIPBUB1KDM1A
SCHEMBL3765061 0.87 CCNT1 (0.36) SCN9ABUB1KDM1AHDAC1BMPR1B
SCHEMBL3756183 0.87 BUB1 (0.37) BUB1JAK2NPC1RAB9AALDH1A1
SCHEMBL3761348 0.87 BUB1 (0.37) BUB1JAK2NPC1RAB9AALDH1A1
SCHEMBL3759022 0.87 BUB1 (0.37) BUB1JAK2NPC1RAB9AALDH1A1

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 MAPK14 159/4885SCN9A 1838/4885ATR 540/4885

“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.