Pyrrole

Pyrrole

SCHEMBL2297382

NC(=O)c1ccn[nH]c1=O.c1cc[nH]c1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.39
CSNK1A1 P48729 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
AURKA O14965 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
PRKX P51817 1/20 0.39
CDK5 Q00535 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MST1R Q04912 1/20 0.39

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
SCHEMBL1210909 0.91 HCAR2 (0.42) BTKCSNK1A1DYRK1BAURKAPLK4
SCHEMBL3342923 0.83 KDM4E (0.37) BTKCSNK1A1DYRK1BAURKAPLK4
SCHEMBL2742976 0.74 HCAR2 (0.54) HCAR2KDM4CKDM4EL3MBTL1NPC1
Urea SCHEMBL11275543 0.73 MAPT (0.47) HCAR2L3MBTL1PARP1NPC1RAB9A
SCHEMBL27189220 0.72 HCAR2 (0.42) HCAR2KDM4CL3MBTL1PARP1NPC1
SCHEMBL29731607 0.68 HCAR2 (0.38) HCAR2KDM4CKDM4EL3MBTL1NPC1
SCHEMBL1623326 0.68 ALDH1A1 (0.51) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL27239649 0.67 HCAR2 (0.36) HCAR2NPC1RAB9AALOX15SMN1; SMN2
Pyrrole SCHEMBL28160832 0.67 CYP17A1 (0.51) KDM4EL3MBTL1PARP1NPC1RAB9A
Pyrrole SCHEMBL985895 0.66 P2RX7 (0.48) CSNK1A1DYRK1BTYRO3KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
EP-2227232-A1 METHODS FOR INHIBITING T HELPER CELL DIFFERENTIATION Fibrogen, Inc. (US) 2010-09-15 EP disclosed
US-20100144737-A1 METHODS FOR INHIBITING T HELPER CELL DIFFERENTIATION FIBROGEN, INC. (US) 2010-06-10 US disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
WO-2010024911-A1 METHODS FOR INCREASING NEUROGENESIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
WO-2009075822-A1 METHODS FOR INHIBITING T HELPER CELL DIFFERENTIATION FIBROGEN, INC. (US) 2009-06-18 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-20100144737-A1 METHODS FOR INHIBITING T HELPER CELL DIFFERENTIATION NFATC1, CD4, IL2 BTK 3107/4885CSNK1A1 1897/4885DYRK1B 3672/4885

“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.