SCHEMBL3757637

SCHEMBL3757637

CN1CCN(C(=O)Nc2cccc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.40
PRKDC P78527 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAK O14976 1/20 0.39
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRMT6 Q96LA8 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 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
SCHEMBL3751898 0.95 NPC1 (0.46) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL16161666 0.93 POLB (0.42) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL3751903 0.91 NPC1 (0.41) KDM4ENPC1RAB9APOLBPRKDC
SCHEMBL3766528 0.88 PRKDC (0.52) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL3769608 0.87 PRKDC (0.40) NPC1RAB9APOLBPRKDCALDH1A1
SCHEMBL3759018 0.87 ROCK1 (0.40) NPC1RAB9APOLBPRKDCALDH1A1
SCHEMBL3763545 0.87 RAB9A (0.46) KDM4ENPC1RAB9AMAPTPRKDC
SCHEMBL3765924 0.86 PIK3CA (0.44) NPC1RAB9AMAPTPRKDCALDH1A1
SCHEMBL3760075 0.86 PRKDC (0.42) NPC1RAB9APRKDCHSD17B10
SCHEMBL3763361 0.86 PRKDC (0.42) NPC1RAB9APRKDC

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 KDM4E 1014/4885NPC1 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.