SCHEMBL3759018

SCHEMBL3759018

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(NC(=O)N4CCC(N)C4)c3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.40
PRKDC P78527 2/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAK O14976 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
LMNA P02545 1/20 0.35
BRAF P15056 1/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3769608 0.92 PRKDC (0.40) ROCK1PRKDCNPC1RAB9AGAK
SCHEMBL3751898 0.90 NPC1 (0.46) PRKDCNPC1RAB9AGAKLMNA
SCHEMBL3765589 0.89 PRKDC (0.38) PRKDCNPC1RAB9AGAKLMNA
SCHEMBL3757637 0.87 KDM4E (0.48) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL16161666 0.87 POLB (0.42) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL3766528 0.86 PRKDC (0.52) PRKDCNPC1RAB9ABRAFALDH1A1
SCHEMBL3751903 0.86 NPC1 (0.41) PRKDCNPC1RAB9AGAKALDH1A1
SCHEMBL3769096 0.85 ALDH1A1 (0.34) PRKDCLMNAALDH1A1PIK3CASMN1; SMN2
SCHEMBL3760240 0.84 PTPN1 (0.44) PRKDCALDH1A1POLBSMN1; SMN2
SCHEMBL3761880 0.83 ALDH1A1 (0.44) PRKDCLMNAALDH1A1POLBSMN1; SMN2

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 ROCK1 1189/4885PRKDC 112/4885NPC1 3855/4885

“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.