SCHEMBL9898080

SCHEMBL9898080

CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1N

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.69
ALDH1A1 P00352 7/20 0.60
MAPK1 P28482 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
XBP1 P17861 1/20 0.52
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL28896334 0.84 CYP1A2 (0.70) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL69310 0.81 HPGD (1.00) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL7056757 0.80 CYP1A2 (0.59) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL16504003 0.80 CYP1A2 (0.70) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL68410 0.78 SMN1; SMN2 (0.71) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL6953723 0.78 SMN1; SMN2 (0.53) HPGDALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL7056712 0.76 CYP1A2 (0.54) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL1450411 0.75 HPGD (0.80) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL11829885 0.75 ALDH1A1 (1.00) HPGDALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL5203823 0.75 ALDH1A1 (1.00) HPGDALDH1A1MAPK1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US 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
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 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
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A HPGD 875/4885ALDH1A1 863/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HPGD 749/4885ALDH1A1 776/4885MAPK1 2415/4885

“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.