SCHEMBL9895787

SCHEMBL9895787

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 7/20 0.32
BRD4 O60885 2/20 0.32
PDE10A Q9Y233 1/20 0.31
RIPK2 O43353 1/20 0.31
SMO Q99835 1/20 0.31
P2RX3 P56373 1/20 0.31
KMO O15229 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9895785 1.00 KDM2B (0.36) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9896293 1.00 KDM2B (0.36) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9895700 0.97 LMNA (0.38) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9897518 0.97 LMNA (0.38) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9895698 0.97 LMNA (0.38) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9895362 0.94 KDM2B (0.36) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9895363 0.94 KDM2B (0.36) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9896150 0.94 KDM2B (0.36) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9896582 0.93 KDM2B (0.33) KDM2BKDM4CLMNAHPGDHTT
SCHEMBL9896583 0.93 KDM2B (0.33) KDM2BKDM4CLMNAHPGDHTT

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 4 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
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 161/4885LMNA 3627/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885LMNA 3477/4885

“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.