SCHEMBL3769608

SCHEMBL3769608

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(NC(=O)N4CC[C@@H](O)C4)c3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAK O14976 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
POLB P06746 1/20 0.34
ABL1 P00519 2/20 0.34
ROCK1 Q13464 1/20 0.33
CHRNA7 P36544 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
SCHEMBL3759018 0.92 ROCK1 (0.40) PRKDCNPC1RAB9AGAKLMNA
SCHEMBL3751898 0.90 NPC1 (0.46) PRKDCNPC1RAB9AGAKLMNA
SCHEMBL3765589 0.90 PRKDC (0.38) PRKDCNPC1RAB9AGAKLMNA
SCHEMBL16161666 0.87 POLB (0.42) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL3757637 0.87 KDM4E (0.48) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL3766528 0.87 PRKDC (0.52) PRKDCNPC1RAB9AALDH1A1PIK3R1
SCHEMBL3751903 0.87 NPC1 (0.41) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL3760240 0.85 PTPN1 (0.44) PRKDCALDH1A1POLB
SCHEMBL3761880 0.84 ALDH1A1 (0.44) PRKDCLMNAALDH1A1POLB
SCHEMBL3763545 0.84 RAB9A (0.46) PRKDCNPC1RAB9ALMNAALDH1A1

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 PRKDC 112/4885NPC1 3855/4885RAB9A 713/4885

“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.