SCHEMBL3758952

SCHEMBL3758952

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)N[C@H]5CCN(C(=O)O)C5)c4)c3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
USP30 Q70CQ3 2/20 0.37
MAPK14 Q16539 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
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
BTK Q06187 2/20 0.35
RIPK1 Q13546 1/20 0.35
SCN9A Q15858 2/20 0.34
BUB1 O43683 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
RIPK2 O43353 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3765032 0.95 MAPK14 (0.36) CYP2C19USP30MAPK14ATRATRIP
SCHEMBL3756183 0.91 BUB1 (0.37) BTKBUB1NPC1ALDH1A1
SCHEMBL3759022 0.91 BUB1 (0.37) BTKBUB1NPC1ALDH1A1
SCHEMBL3761348 0.91 BUB1 (0.37) BTKBUB1NPC1ALDH1A1
SCHEMBL3756615 0.88 ATR (0.38) MAPK14ATRATRIPBMPR1BBMPR1A
SCHEMBL3761429 0.88 CBLB (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3760371 0.88 BMPR1B (0.39) CYP2C19ATRBMPR1BBMPR1ATGFBR1
SCHEMBL3759237 0.87 KDM1A (0.38) MAPK14SCN9ABUB1KDM1AHDAC1
SCHEMBL3760654 0.87 PIK3CA (0.36) ATRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3766079 0.86 SYK (0.34) BTKBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
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 CYP2C19 1473/4885USP30 2619/4885MAPK14 159/4885

“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.