SCHEMBL3765035

SCHEMBL3765035

O=C(Nc1cc[c]cc1)NN1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 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
SCHEMBL5198652 0.85 KMT2A (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5198772 0.85 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL8961559 0.79 TP53 (0.57) NPC1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL751658 0.75 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27874637 0.75 LIPE (0.56) NPC1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL3765033 0.72 HTT (0.41) NPC1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL10943929 0.72 RAB9A (0.76) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL751780 0.71 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3756708 0.71 KMT2A (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL754698 0.70 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 7 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
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO 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 NPC1 3855/4885RAB9A 713/4885SMN1; SMN2 1864/4885

“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.