SCHEMBL3255190

SCHEMBL3255190

COC1(c2cccs2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.39
BRDT Q58F21 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SCD5 Q86SK9 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
DTYMK P23919 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL986690 0.85 GPR119 (0.47) GPR119GBA1ALDH1A1TSHRALOX15
SCHEMBL2334586 0.82 OPRM1 (0.47) GPR119GBA1TSHRALOX15ATM
SCHEMBL8347586 0.82 TSHR (0.48) GPR119GBA1ALDH1A1TSHRALOX15
SCHEMBL8355728 0.81 TSHR (0.45) GPR119GBA1ALDH1A1TSHRALOX15
SCHEMBL3786845 0.81 GPR119 (0.43) GPR119GBA1ALDH1A1TSHRALOX15
SCHEMBL18801511 0.81 GPR119 (0.42) GPR119GBA1ALDH1A1TSHRALOX15
SCHEMBL15804318 0.81 GPR119 (0.44) GPR119GBA1TSHRALOX15ATM
SCHEMBL31283613 0.80 GPR119 (0.41) GPR119ALDH1A1TSHRALOX15ATM
SCHEMBL31283650 0.80 GPR119 (0.43) GPR119GBA1TSHRALOX15ATM
SCHEMBL1513657 0.79 TSHR (0.55) GPR119TSHRALOX15ATMSCD5

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-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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US 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

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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B GPR119 263/4885GBA1 3885/4885ALDH1A1 1901/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 GPR119 328/4885GBA1 3674/4885ALDH1A1 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.