Pyrrole

Pyrrole

SCHEMBL3880770

c1cc[nH]c1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAOA P21397 1/20 0.54
CHRM2 P08172 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.50
BCHE P06276 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
IDO1 P14902 2/20 0.48
THRB P10828 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL1654 0.87 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5799878 0.87 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Benzene SCHEMBL11697595 0.87 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL2064651 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Bromide SCHEMBL998627 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Fluoride SCHEMBL634375 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Water SCHEMBL11666905 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL1862144 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL21550054 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL3990993 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504521-B2 Methods for the preparation of pyrrolotriazine compounds BRISTOL-MYERS SQUIBB CO. (US) 2009-03-17 US disclosed
US-20060030708-A1 Methods for the preparation of pyrrolotriazine compounds BRISTOL-MYERS SQUIBB COMPANY 2006-02-09 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-20060030708-A1 Methods for the preparation of pyrrolotriazine compounds SDHB, SDHA, DHPS MEN1 1100/4885KMT2A 1122/4885TDP1 3075/4885

“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.