SCHEMBL981633

SCHEMBL981633

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)NC3CCN(C(=O)COC)CC3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.40
HTR4 Q13639 2/20 0.38
TSHR P16473 1/20 0.37
CD38 P28907 2/20 0.37
HPGDS O60760 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM5A P29375 1/20 0.35
EPHX2 P34913 1/20 0.35
MDM4 O15151 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL983581 0.93 BTK (0.40) BTKHTR4TSHRHPGDSTBK1
SCHEMBL984910 0.92 HPGDS (0.45) BTKHTR4TSHRCD38HPGDS
SCHEMBL982565 0.91 HPGDS (0.39) HTR4TSHRCD38HPGDSMCHR1
SCHEMBL981845 0.89 KDM4E (0.43) BTKHTR4CD38KMT2AMEN1
SCHEMBL984117 0.89 KDM4E (0.43) BTKHTR4CD38KMT2AMEN1
SCHEMBL986466 0.89 HTR4 (0.36) BTKHTR4TSHRCD38HPGDS
SCHEMBL981665 0.89 ALDH1A1 (0.42) BTKKMT2AMEN1
SCHEMBL984754 0.88 HTR4 (0.40) BTKHTR4CD38KMT2AMEN1
SCHEMBL981844 0.88 HTR4 (0.41) BTKHTR4CD38HPGDS
SCHEMBL981879 0.88 HTR4 (0.51) BTKHTR4CD38HPGDS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN claimed
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 1818/4885TSHR 3033/4885

“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.