SCHEMBL1852230

SCHEMBL1852230

O=C([CH]c1cc2ccccc2[nH]1)C1CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.44
CYP2A6 P11509 1/20 0.42
REN P00797 3/20 0.41
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP2D6 P10635 2/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATP6V1B1 P15313 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1856022 0.76 CYP2A6 (0.44) CYP2A6RENMAOBCYP2D6MAPT
SCHEMBL3994046 0.75 REN (0.45) SSTR4RENALDH1A1MAOBHRH4
SCHEMBL9704857 0.71 DRD2 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL28595426 0.70 REN (0.53) SSTR4RENCYP2D6SLC6A2SLC6A4
SCHEMBL1853483 0.70 CYP2A6 (0.44) CYP2A6ALDH1A1MAOBHRH4HRH3
SCHEMBL27451591 0.70 LMNA (0.44) SSTR4RENALDH1A1MAOBCYP2D6
SCHEMBL1850975 0.69 CYP2A6 (0.61) CYP2A6ALDH1A1MAOBCYP2D6MAPT
SCHEMBL1854306 0.69 CYP2A6 (0.61) CYP2A6ALDH1A1CYP2D6MAPTIDO1
SCHEMBL28649067 0.69 SSTR4 (0.44) SSTR4RENSLC6A2SLC6A4
SCHEMBL1854818 0.68 MAOB (0.40) SSTR4RENALDH1A1MAOBHRH4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
EP-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (2 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA SSTR4 2347/4885CYP2A6 2110/4885REN 913/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA SSTR4 1914/4885CYP2A6 3030/4885REN 854/4885

“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.