SCHEMBL3246144

SCHEMBL3246144

CC(=O)N(C)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.53
ADRB1 P08588 6/20 0.51
ALDH1A1 P00352 3/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
HTR6 P50406 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL24670541 0.84 MAPKAPK2 (0.57) MAPKAPK2ADRB1ALDH1A1USP2TSHR
SCHEMBL8250890 0.80 MAPT (0.40) MAPKAPK2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4421492 0.79 ADRB1 (0.62) ADRB1ALDH1A1USP2TSHRHSD17B10
SCHEMBL2378672 0.78 SMN1; SMN2 (0.53) KDM4ELMNA
Hydrochloric Acid SCHEMBL16528268 0.78 ADRB1 (0.60) ADRB1ALDH1A1USP2TSHRHSD17B10
SCHEMBL6094124 0.76 ALDH1A1 (0.65) ADRB1ALDH1A1USP2TSHRHSD17B10
SCHEMBL232986 0.76 ALDH1A1 (0.65) ADRB1ALDH1A1USP2TSHRHSD17B10
SCHEMBL5235537 0.75 ALDH1A1 (0.59) MAPKAPK2ADRB1ALDH1A1USP2TSHR
SCHEMBL5453579 0.75 MAPT (0.51) MAPKAPK2ADRB1ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL31349246 0.74 ALDH1A1 (0.58) MAPKAPK2ADRB1ALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed
US-5622950-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-04-22 US disclosed
US-5576319-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME LTD. (GB) 1996-11-19 US disclosed
US-5432177-A Pyrrolo-pyridine derivatives MERCK SHARPE & DOHME LTD. (GB) 1995-07-11 US disclosed
EP-0623618-A2 Pyrrolo-pyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1994-11-09 EP disclosed
WO-1994020497-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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 (3 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B MAPKAPK2 3945/4885ADRB1 65/4885ALDH1A1 1901/4885
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 MAPKAPK2 3928/4885ADRB1 890/4885ALDH1A1 1291/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 MAPKAPK2 3991/4885ADRB1 10/4885ALDH1A1 1334/4885

“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.