SCHEMBL984583

SCHEMBL984583

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KDM1A O60341 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BTK Q06187 4/20 0.34
MDM4 O15151 1/20 0.34
HTT P42858 1/20 0.33
RIPK2 O43353 1/20 0.33
PTK2 Q05397 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL985060 0.92 HPGD (0.40) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL984745 0.92 BTK (0.39) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL984905 0.91 KDM1A (0.42) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL983804 0.91 HTR4 (0.39) KDM4EBTKPTK2
SCHEMBL983050 0.90 BRD4 (0.37) LMNAHPGDNPC1RAB9A
SCHEMBL981511 0.90 KDM1A (0.42) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL986033 0.90 CSNK2A2 (0.38) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL986034 0.90 CSNK2A2 (0.38) LMNAHPGDKDM2BKDM4CTAS1R3
SCHEMBL981263 0.89 MDM4 (0.37) KDM2BKDM4CBTKMDM4
SCHEMBL985299 0.89 BTK (0.37) LMNAHPGDKDM2BKDM4CTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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 (1 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A LMNA 2873/4885HPGD 206/4885KDM2B 831/4885

“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.