Pyrrole

Pyrrole

SCHEMBL82535

c1cc[nH]c1.c1cnc2cncnc2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
ALDH1A1 P00352 1/20 0.38
RPS6KA5 O75582 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
NR4A2 P43354 1/20 0.32
CYP2A6 P11509 2/20 0.31
TGFBR1 P36897 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL29367065 0.88 EGFR (0.52) EGFRALDH1A1RPS6KA5KDM4EMAPT
SCHEMBL28742280 0.88 EGFR (0.52) EGFRALDH1A1RPS6KA5KDM4EMAPT
SCHEMBL51486 0.88 EGFR (0.52) EGFRALDH1A1RPS6KA5KDM4EMAPT
Hydrochloric Acid SCHEMBL30980980 0.86 EGFR (0.50) EGFRALDH1A1RPS6KA5KDM4EMAPT
Hydrochloric Acid SCHEMBL22289522 0.86 EGFR (0.50) EGFRALDH1A1RPS6KA5KDM4EMAPT
SCHEMBL29188217 0.86 EGFR (0.50) EGFRALDH1A1RPS6KA5KDM4EMAPT
Pyrrole SCHEMBL82596 0.86 EGFR (0.43) EGFRALDH1A1PIK3CDPIK3CA
Pyrimidine SCHEMBL28750071 0.82 EGFR (0.47) EGFRALDH1A1RPS6KA5KDM4EMAPT
Pyridine SCHEMBL27558287 0.81 EGFR (0.45) EGFRALDH1A1RPS6KA5KDM4EMAPT
SCHEMBL28055407 0.80 EGFR (0.38) EGFRALDH1A1RPS6KA5KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
CN-100384846-C Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2008-04-30 CN disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
CN-1688582-A Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2005-10-26 CN disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO 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 (2 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 EGFR 352/4885ALDH1A1 4300/4885RPS6KA5 310/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG EGFR 468/4885ALDH1A1 4097/4885RPS6KA5 460/4885

“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.