SCHEMBL9897273

SCHEMBL9897273

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@@H](O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
RIPK2 O43353 1/20 0.34
BRD4 O60885 4/20 0.34
PAK1 Q13153 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
EP300 Q09472 1/20 0.32
MAPK14 Q16539 2/20 0.32
CYP2C9 P11712 1/20 0.32
KMO O15229 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL9896614 1.00 KDM2B (0.37) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL9896618 1.00 KDM2B (0.37) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL9897282 0.95 KDM2B (0.36) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL9898148 0.95 KDM2B (0.36) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL9896661 0.95 KDM2B (0.36) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL9896024 0.95 KDM2B (0.36) KDM2BKDM4CTRPV1HPGDLMNA
SCHEMBL1439069 0.94 KDM2B (0.40) KDM2BKDM4CHPGDLMNARIPK2
SCHEMBL1440911 0.94 KDM2B (0.40) KDM2BKDM4CHPGDLMNARIPK2
SCHEMBL1439072 0.94 KDM2B (0.40) KDM2BKDM4CHPGDLMNARIPK2
SCHEMBL9897464 0.93 KDM2B (0.37) KDM2BKDM4CHPGDLMNARIPK2

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 161/4885TRPV1 2746/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885TRPV1 3315/4885

“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.