SCHEMBL3759355

SCHEMBL3759355

CCC(=O)Nc1cccc(-c2c(N3CCOCC3)sc3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
BUB1 O43683 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.38
AKT1 P31749 1/20 0.38
BRD4 O60885 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
SHMT2 P34897 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL3766528 0.90 PRKDC (0.52) PRKDCNPC1RAB9ABUB1ALDH1A1
SCHEMBL3760651 0.90 RXFP1 (0.40) PRKDCNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3758789 0.90 SMN1; SMN2 (0.46) PRKDCNPC1RAB9ACYP3A4CYP2C19
SCHEMBL3769346 0.90 MTOR (0.43) PRKDCBRD4
SCHEMBL3760939 0.89 POLB (0.40) PRKDCNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16161718 0.89 PRKDC (0.40) PRKDCNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3760075 0.89 PRKDC (0.42) PRKDCNPC1RAB9ABUB1BRD4
SCHEMBL3765924 0.89 PIK3CA (0.44) PRKDCNPC1RAB9ABUB1ALDH1A1
SCHEMBL3763361 0.89 PRKDC (0.42) PRKDCNPC1RAB9ABRD4
SCHEMBL3751898 0.89 NPC1 (0.46) PRKDCNPC1RAB9ACYP2C19ALDH1A1

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.