Pyrrole

Pyrrole

SCHEMBL1706242

O=C(O)c1ccncn1.c1cc[nH]c1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
NAPRT Q6XQN6 3/20 0.46
P4HTM Q9NXG6 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TBXA2R P21731 4/20 0.41
KMO O15229 2/20 0.41
GRM4 Q14833 2/20 0.40
FAAH O00519 1/20 0.38
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL29587616 0.87
SCHEMBL37469 0.87
SCHEMBL27474788 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
Hydrochloric Acid SCHEMBL28466502 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
Hydrochloric Acid SCHEMBL1224737 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
SCHEMBL31022254 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
Bromide SCHEMBL10349040 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
SCHEMBL27705986 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
SCHEMBL29062401 0.85 P2RX7 (0.57) P2RX7NAPRTP4HTMLMNAL3MBTL1
Pyrrole SCHEMBL28251453 0.84 P2RX7 (0.54) P2RX7TBXA2RGRM4FAAHCTNNB1

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
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A P2RX7 159/4885NAPRT 1108/4885P4HTM 2111/4885

“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.