SCHEMBL983264

SCHEMBL983264

O=C(N[C@H]1CC[C@H](NC(=O)C2CC2)CC1)c1c[nH]c2c(-c3ccccc3OCC3CC3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.40
CYP46A1 Q9Y6A2 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
DRD2 P14416 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33
PAK1 Q13153 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PTK2 Q05397 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
SCHEMBL982008 0.90 BTK (0.40) BTKKMT2AMRGPRX1TAS1R3TAS1R1
SCHEMBL984599 0.90 BTK (0.39) BTKMRGPRX1
SCHEMBL981978 0.90 NPY5R (0.38) BTKKMT2AALDH1A1IRAK4
SCHEMBL983586 0.90 BTK (0.35) BTKKMT2AMEN1MRGPRX1TAS1R3
SCHEMBL983559 0.90 PTK2 (0.39) KMT2AMEN1MRGPRX1ALDH1A1PTK2
SCHEMBL984790 0.88 PAK1 (0.38) BTKKMT2AMEN1ALDH1A1PAK1
SCHEMBL983145 0.87 BTK (0.44) BTKKMT2AMEN1TAS1R3TAS1R1
SCHEMBL987096 0.87 CNR1 (0.38) BTKKMT2ADRD2TAS1R3TAS1R1
SCHEMBL983256 0.87 BTK (0.42) BTKKMT2AMEN1MRGPRX1DRD2
SCHEMBL987097 0.87 CNR1 (0.38) BTKKMT2ADRD2TAS1R3TAS1R1

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 1977/4885CYP46A1 2430/4885KMT2A 2975/4885

“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.