SCHEMBL9895932

SCHEMBL9895932

CCOC(=O)c1c(C)[nH]c2c(O)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX5 P09917 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
MAPK1 P28482 1/20 0.43
PDE4D Q08499 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 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
SCHEMBL9896238 0.84 HPGD (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10196710 0.79 ALDH1A1 (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL9105873 0.75 MAPT (0.45) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1492142 0.74 JAK2 (0.48) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL3106172 0.73 CA12 (0.50) MAPTGAAALDH1A1CYP3A4CYP1A2
SCHEMBL9895644 0.73 CCNT1 (0.43) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL9082411 0.72 CA12 (0.49) MAPTGAAALDH1A1CYP3A4CYP1A2
SCHEMBL13959456 0.72 HPGD (0.49) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL68410 0.70 SMN1; SMN2 (0.71) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3676351 0.69 PDE4D (0.53) MAPTGAAALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US 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

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 MAPT 4595/4885GAA 2054/4885ALDH1A1 863/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPT 4854/4885GAA 3584/4885ALDH1A1 776/4885

“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.