SCHEMBL984993

SCHEMBL984993

Cc1ccc(OCC2CC2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
HTR2C P28335 6/20 0.34
HTR2B P41595 4/20 0.34
HTR2A P28223 3/20 0.34
RIPK1 Q13546 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PDE4B Q07343 5/20 0.33
CNR1 P21554 1/20 0.33
FPR2 P25090 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL20154965 0.85 HTR2C (0.36) CNR2HTR2CHTR2BHTR2ARIPK1
SCHEMBL983516 0.85 HTR2C (0.47) HTR2CHTR2BHTR2ARIPK1KDM2B
SCHEMBL984008 0.84 PDE4B (0.40) PDE4BFPR2
SCHEMBL1438795 0.84 LPL (0.35) HTR2CHTR2BHTR2APDE4B
SCHEMBL19931197 0.83 P2RX3 (0.34) CNR2HTR2CHTR2BHTR2ARIPK1
SCHEMBL1440537 0.83 PDE4B (0.35) CNR2HTR2CHTR2BHTR2ARIPK1
SCHEMBL1438849 0.82 TSHR (0.38) HTR2CHTR2BHTR2ARIPK1PDE4B
SCHEMBL1439046 0.82 PDE4B (0.38) HTR2CHTR2BHTR2APDE4B
SCHEMBL986207 0.82 RIPK1 (0.46) CNR2HTR2CHTR2BHTR2ARIPK1
SCHEMBL16651855 0.81 BRD4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
EP-2470531-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2011023696-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (4 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A CNR2 1647/4885HTR2C 1834/4885HTR2B 1921/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A CNR2 1366/4885HTR2C 1128/4885HTR2B 1305/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CNR2 2377/4885HTR2C 1115/4885HTR2B 1383/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CNR2 2118/4885HTR2C 2569/4885HTR2B 2850/4885

“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.