SCHEMBL983581

SCHEMBL983581

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
HTR4 Q13639 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
TSHR P16473 1/20 0.36
PAK1 Q13153 1/20 0.36
HPGDS O60760 1/20 0.36
MDM4 O15151 1/20 0.36
MCHR1 Q99705 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL984353 0.95 TBK1 (0.41) BTKHTR4TBK1TSHRPAK1
SCHEMBL983552 0.94 BTK (0.40) BTKHTR4TBK1TSHRPAK1
SCHEMBL981633 0.93 BTK (0.40) BTKHTR4TBK1TSHRHPGDS
SCHEMBL983530 0.92 BTK (0.40) BTKMDM4KMT2AMEN1
SCHEMBL984587 0.92 HPGDS (0.44) HTR4TSHRPAK1HPGDSMDM4
SCHEMBL985879 0.91 MTNR1B (0.40) HTR4TSHRPAK1HPGDSMDM4
SCHEMBL983426 0.90 ALDH1A1 (0.44) KMT2AMEN1POLB
SCHEMBL983455 0.90 KDM4E (0.42) BTKHTR4HPGDSKMT2AMEN1
SCHEMBL984888 0.90 KDM4E (0.42) BTKHTR4HPGDSKMT2AMEN1
SCHEMBL985429 0.89 PAK1 (0.38) HTR4TSHRPAK1HPGDSMDM4

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 1977/4885HTR4 1818/4885TBK1 3509/4885

“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.