Pyrrole

Pyrrole

SCHEMBL985895

NC(=O)c1ncccn1.c1cc[nH]c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
PARP1 P09874 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
LIMK1 P53667 2/20 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
SCHEMBL158178 0.86
Bromide SCHEMBL10718877 0.84 P2RX7 (0.52) P2RX7CTNNB1WNT3APARP1KDM4E
Ammonia Solution, Strong SCHEMBL17104818 0.84 P2RX7 (0.52) P2RX7CTNNB1WNT3APARP1KDM4E
SCHEMBL27431959 0.84 P2RX7 (0.52) P2RX7CTNNB1WNT3APARP1KDM4E
Hydrochloric Acid SCHEMBL27440453 0.84 P2RX7 (0.52) P2RX7CTNNB1WNT3APARP1KDM4E
Hydrochloric Acid SCHEMBL25337662 0.84 P2RX7 (0.52) P2RX7CTNNB1WNT3APARP1KDM4E
Pyrrole SCHEMBL4100621 0.83 P2RX7 (0.32) P2RX7CSNK1A1TYRO3DYRK1BADORA3
Imidazole SCHEMBL14714358 0.80 ALDH1A1 (0.48) P2RX7CTNNB1WNT3APARP1CSNK1A1
Pyrazole SCHEMBL357858 0.78 P2RX7 (0.39) P2RX7CTNNB1WNT3APARP1CSNK1A1
Pyrrole SCHEMBL1194080 0.76 CES2 (0.53) CTNNB1WNT3AALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062088-B2 CDK-inhibiting pyrrolopyrimidine carboxamide derivative or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing the same as active ingredient for preventing or treating hepatocellular carcinoma SNU R&DB FOUNDATION (KR) 2015-06-23 US claimed
EP-4720066-A1 PYRROLOPYRIMIDINE CARBOXAMIDES Astrazeneca AB (SE) 2026-04-08 EP disclosed
WO-2024252276-A1 PYRROLOPYRIMIDINE CARBOXAMIDES ASTRAZENECA AB (SE) 2024-12-12 WO disclosed
US-20200123499-A1 METHOD FOR EFFICIENT GENERATION OF NEURONS FROM NON-NEURONAL CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 US disclosed
WO-2017096326-A1 METHOD FOR EFFICIENT GENERATION OF NEURONS FROM NON-NEURONAL CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-08 WO disclosed
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 CN disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 US disclosed
EP-2721030-B1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2015-12-16 EP disclosed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN disclosed
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN disclosed
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
CN-101959890-A Pyrrolopyrimidine carboxamides NYCOMED GMBH 2011-01-26 CN disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (3 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 P2RX7 494/4885CTNNB1 4377/4885WNT3A 4421/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A P2RX7 205/4885CTNNB1 4185/4885WNT3A 4406/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A P2RX7 778/4885CTNNB1 4500/4885WNT3A 4586/4885

“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.