SCHEMBL3264110

SCHEMBL3264110

COC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC1 Q13547 1/20 0.47
DRD2 P14416 1/20 0.47
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TACR1 P25103 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL19560004 0.88 GPR119 (0.51) MEN1KMT2ATSHRALOX15ATM
SCHEMBL24310164 0.88 ESR2 (0.46) MEN1KMT2ATSHRALOX15ATM
SCHEMBL1427288 0.87 RORC (0.49) RORCTSHRALOX15ATMJAK2
SCHEMBL558749 0.87 MEN1 (0.54) MEN1KMT2ADRD2TSHRALOX15
SCHEMBL1513657 0.86 TSHR (0.55) RORCMEN1KMT2ATSHRALOX15
SCHEMBL20743058 0.86 RORC (0.47) RORCMEN1KMT2AHDAC2HDAC1
SCHEMBL17886655 0.86 ATM (0.45) RORCTSHRALOX15ATMTACR1
SCHEMBL4778727 0.84 RORC (0.51) RORCMEN1KMT2AHDAC2HDAC1
SCHEMBL3266179 0.84 RORC (0.51) RORCMEN1KMT2AHDAC2HDAC1
SCHEMBL19458931 0.83 RORC (0.43) RORCHDAC2HDAC1TSHRALOX15

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 RORC 259/4885MEN1 3661/4885KMT2A 1528/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 RORC 467/4885MEN1 4584/4885KMT2A 2399/4885

“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.