SCHEMBL983256

SCHEMBL983256

O=C(N[C@H]1CC[C@H](NC(=O)C2(O)CC2)CC1)c1c[nH]c2c(-c3ccccc3OCC3CC3)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.42
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
MDM4 O15151 1/20 0.33
KMT2A Q03164 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
SGMS2 Q8NHU3 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
SCHEMBL981725 0.91 HTR2A (0.38) BTKADORA2AADORA1KMT2AALDH1A1
SCHEMBL984921 0.91 HTR2A (0.38) BTKADORA2AADORA1KMT2AALDH1A1
SCHEMBL985635 0.89 BTK (0.37) BTKADORA2AADORA1MDM4TAS1R3
SCHEMBL982008 0.88 BTK (0.40) BTKADORA2AADORA1MRGPRX1KMT2A
SCHEMBL984599 0.88 BTK (0.39) BTKMRGPRX1
SCHEMBL984217 0.88 HTR4 (0.38) BTKKMT2A
SCHEMBL981903 0.88 HTR4 (0.38) BTKKMT2A
SCHEMBL981596 0.88 HTR4 (0.38) BTKMDM4
SCHEMBL983642 0.88 HTR4 (0.38) BTKMDM4
SCHEMBL983586 0.87 BTK (0.35) BTKMRGPRX1KMT2ATAS1R3TAS1R1

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 1977/4885ADORA2A 1950/4885ADORA1 1542/4885

“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.