SCHEMBL984895

SCHEMBL984895

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
MAP3K5 Q99683 2/20 0.36
MAP3K6 O95382 1/20 0.36
MDM4 O15151 1/20 0.35
KMT2A Q03164 2/20 0.35
DYRK1A Q13627 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
LRRK2 Q5S007 3/20 0.34
MCHR1 Q99705 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 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
SCHEMBL984230 0.97 BTK (0.39) BTKMAP3K5MAP3K6MDM4KMT2A
SCHEMBL982545 0.96 MDM4 (0.37) BTKMAP3K5MAP3K6MDM4KMT2A
SCHEMBL982596 0.95 MAP3K5 (0.36) BTKMAP3K5MAP3K6MDM4KMT2A
SCHEMBL981843 0.94 EPHX2 (0.38) MAP3K5MAP3K6MDM4KMT2ADYRK1A
SCHEMBL983283 0.93 BTK (0.36) BTKMAP3K5MAP3K6MDM4DYRK1A
SCHEMBL982066 0.93 MDM4 (0.37) BTKMAP3K5MAP3K6MDM4DYRK1A
SCHEMBL982064 0.92 MAP3K5 (0.37) BTKMAP3K5MAP3K6MDM4KMT2A
SCHEMBL984462 0.92 POLB (0.39) BTKMDM4
SCHEMBL981629 0.92 POLB (0.39) BTKMDM4
SCHEMBL984720 0.91 MDM4 (0.38) BTKMAP3K5MAP3K6MDM4KMT2A

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 BTK 1977/4885MAP3K5 1564/4885MAP3K6 2724/4885

“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.