SCHEMBL9896712

SCHEMBL9896712

CCOC(=O)c1c(C)[nH]c2c(-c3cc(C(C)C)ccc3OCC3CC3)ncnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
F2 P00734 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
PDE4B Q07343 2/20 0.33
KMO O15229 1/20 0.33
RXRA P19793 1/20 0.33
NPC1 O15118 1/20 0.32
TDP2 O95551 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
SCHEMBL9897718 0.94 SLC34A1 (0.38) BRD4F2MAPTMEN1ALDH1A1
SCHEMBL9896486 0.89 BRD4 (0.37) BRD4F2MAPTMEN1ALDH1A1
SCHEMBL9898779 0.89 KDM2B (0.41) BRD4F2MAPTMEN1ALDH1A1
SCHEMBL9896634 0.88 CCNT1 (0.41) BRD4MAPTMEN1KMT2ANPC1
SCHEMBL9898628 0.87 LMNA (0.40) F2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9896054 0.85 PTGER1 (0.40) BRD4F2MAPTALDH1A1ALOX5
SCHEMBL9898659 0.85 BCHE (0.36) BRD4MEN1CYP2C9KMT2ABCHE
SCHEMBL9897465 0.85 BCHE (0.36) BRD4MEN1CYP2C9KMT2ABCHE
SCHEMBL9897460 0.85 BCHE (0.36) BRD4MEN1CYP2C9KMT2ABCHE
SCHEMBL9896527 0.85 KMO (0.38) BRD4PDE4BKMORXRAACACB

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 BRD4 575/4885F2 1610/4885MAPT 4595/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BRD4 435/4885F2 805/4885MAPT 4854/4885

“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.