Pyrrole

Pyrrole

SCHEMBL12467466

NC(=O)c1cc[nH]c(=O)n1.c1cc[nH]c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
PIM1 P11309 1/20 0.37
CCNT1 O60563 1/20 0.35
CCND1 P24385 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
RIPK1 Q13546 1/20 0.34
MAPK1 P28482 1/20 0.33
NUDT1 P36639 1/20 0.33
PIK3CB P42338 1/20 0.33
OPRM1 P35372 1/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL2787055 0.91 PDPK1 (0.39) PDPK1PIM1CCNT1CCND1CCNC
SCHEMBL4112718 0.77 P2RX7 (0.49) MAPK1ALDH1A1
SCHEMBL4308970 0.76 RIPK1 (0.31) PDPK1RIPK1MAPK1
Cytosine SCHEMBL29100442 0.74 DYRK1A (0.38)
SCHEMBL4102491 0.74 KDM4E (0.48) ALDH1A1LMNA
SCHEMBL4309792 0.72 JAK3 (0.33)
SCHEMBL7052922 0.72 KDM4E (0.32)
Pyrrole SCHEMBL5232814 0.71 LMNA (0.34) PDPK1PIM1ALDH1A1LMNA
SCHEMBL10424836 0.71 PDPK1 (0.38) PDPK1PIM1CCNT1CCND1CCNC
SCHEMBL19463620 0.69 PIM1 (0.43) PDPK1PIM1CCNT1CCND1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219427-A1 NOVEL PYRROLOPYRIMIDINONE CARBOXAMIDE COMPOUND FOR INHIBITING CDK, STEREOISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2023-11-16 WO claimed
EP-2636677-B1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER SNU R&DB FOUNDATION (KR) 2016-01-13 EP claimed
US-20130237495-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE 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) 2013-09-12 US claimed
EP-2636677-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER SNU R & DB Foundation (KR) 2013-09-11 EP claimed
WO-2023219427-A1 NOVEL PYRROLOPYRIMIDINONE CARBOXAMIDE COMPOUND FOR INHIBITING CDK, STEREOISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2023-11-16 WO disclosed
WO-2023219427-A1 NOVEL PYRROLOPYRIMIDINONE CARBOXAMIDE COMPOUND FOR INHIBITING CDK, STEREOISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2023-11-16 WO disclosed
EP-2636677-B1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER SNU R&DB FOUNDATION (KR) 2016-01-13 EP disclosed
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 disclosed
US-20130237495-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE 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) 2013-09-12 US disclosed
US-20130237495-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE 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) 2013-09-12 US disclosed
EP-2636677-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER SNU R & DB Foundation (KR) 2013-09-11 EP disclosed
EP-2636677-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER SNU R & DB Foundation (KR) 2013-09-11 EP disclosed
WO-2012060482-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING LIVER CELL CANCER 서울대학교 산학협력단 (KR) 2012-05-10 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 (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-20130237495-A1 CDK-INHIBITING PYRROLOPYRIMIDINONE CARBOXAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING HEPATOCELLULAR CARCINOMA CDK7, CDK4, CDK14 PDPK1 264/4885PIM1 972/4885CCNT1 31/4885

“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.