SCHEMBL985437

SCHEMBL985437

COCC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.37
HTR2A P28223 2/20 0.35
DRD3 P35462 1/20 0.35
PDE5A O76074 1/20 0.34
ACACB O00763 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTK2 Q05397 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AXL P30530 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DYRK1A Q13627 1/20 0.32
CD38 P28907 1/20 0.32
RIPK2 O43353 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
SCHEMBL983483 0.93 BTK (0.35) BTKHTR2APDE5ALRRK2MAP3K6
SCHEMBL984226 0.92 LRRK2 (0.40) BTKHTR2ALRRK2MAP3K6MAP3K5
SCHEMBL983983 0.91 BTK (0.43) BTKHTR2APDE5ALRRK2MAP3K6
SCHEMBL984895 0.90 BTK (0.39) BTKLRRK2MAP3K6MAP3K5DYRK1A
SCHEMBL985542 0.89 BTK (0.40) BTKHTR2ADRD3ACACBGRIN1
SCHEMBL985733 0.89 BTK (0.40) BTKHTR2ADRD3ACACBGRIN1
Hydrochloric Acid SCHEMBL985105 0.89 PTK2 (0.40) HTR2APTK2HTR2CHTR2B
SCHEMBL982398 0.89 BTK (0.34) BTKHTR2APDE5ALRRK2MAP3K6
SCHEMBL984334 0.89 BTK (0.39) BTKHTR2ADRD3ACACBGRIN1
SCHEMBL985449 0.88 BTK (0.35) BTKHTR2APDE5ALRRK2MAP3K6

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 1977/4885HTR2A 3062/4885DRD3 1539/4885

“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.