SCHEMBL9896752

SCHEMBL9896752

Cc1[nH]c2c(-c3cc(C4(C)OCCO4)ccc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.33
RIPK2 O43353 2/20 0.32
BRD4 O60885 2/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MAPK14 Q16539 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL9896756 1.00 CSF1R (0.33) CSF1RRIPK2BRD4AKT1AKT2
SCHEMBL9897892 0.92 LMNA (0.34) CSF1RRIPK2BRD4
SCHEMBL16223983 0.88 CCNC (0.31)
SCHEMBL1440911 0.88 KDM2B (0.40) RIPK2BRD4PRKACAPRKACGPRKACB
SCHEMBL1439069 0.88 KDM2B (0.40) RIPK2BRD4PRKACAPRKACGPRKACB
SCHEMBL1439072 0.88 KDM2B (0.40) RIPK2BRD4PRKACAPRKACGPRKACB
SCHEMBL9897849 0.87 F2 (0.36) BRD4KDM2BKDM4CPDE4APDE4B
SCHEMBL1441879 0.87 SMYD3 (0.36) RIPK2BRD4KDM2BKDM4CMAPK14
SCHEMBL9897041 0.87 SMYD3 (0.36) RIPK2BRD4KDM2BKDM4CMAPK14
SCHEMBL1441884 0.87 SMYD3 (0.36) RIPK2BRD4KDM2BKDM4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 CSF1R 3877/4885RIPK2 3633/4885BRD4 575/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CSF1R 2693/4885RIPK2 2831/4885BRD4 435/4885

“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.