SCHEMBL9897282

SCHEMBL9897282

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@@H]4CC[C@H](O)C4)c(C)[nH]c23)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CNR2 P34972 4/20 0.34
TRPV1 Q8NER1 2/20 0.33
BRD4 O60885 2/20 0.33
GABRA1 P14867 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RIPK2 O43353 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
P2RX3 P56373 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
PAK1 Q13153 1/20 0.31

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
SCHEMBL9896661 1.00 KDM2B (0.36) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9898148 1.00 KDM2B (0.36) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9896024 1.00 KDM2B (0.36) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9897146 0.95 TRPV1 (0.39) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9896771 0.95 TRPV1 (0.39) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9898728 0.95 TRPV1 (0.39) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9896242 0.95 TRPV1 (0.39) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9897273 0.95 KDM2B (0.37) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9896618 0.95 KDM2B (0.37) KDM2BKDM4CCNR2TRPV1BRD4
SCHEMBL9896614 0.95 KDM2B (0.37) KDM2BKDM4CCNR2TRPV1BRD4

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 KDM2B 326/4885KDM4C 161/4885CNR2 2377/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885CNR2 2118/4885

“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.