SCHEMBL4420294

SCHEMBL4420294

N#Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MGMT P16455 1/20 0.45
MAOB P27338 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.44
VCAM1 P19320 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
AKR1B1 P15121 1/20 0.43
CYP19A1 P11511 3/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL30152317 1.00 TP53 (0.47) TP53MEN1KMT2AMAPTEGFR
SCHEMBL8808411 0.86 MEN1 (0.61) MEN1KMT2AMAPTMAOBVCAM1
SCHEMBL30152254 0.84 MEN1 (0.51) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL3366592 0.84 MEN1 (0.51) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL4031174 0.83 MEN1 (0.45) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL1406869 0.81 MRGPRX4 (0.54) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL29555766 0.81 EGFR (0.59) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL30152359 0.81 MAPT (0.49) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL4031443 0.81 MEN1 (0.49) MEN1KMT2AMAPTEGFRERBB2
SCHEMBL141880 0.81 EGFR (0.59) MEN1KMT2AMAPTEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699798-A4 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-03-11 EP disclosed
EP-1699798-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 US disclosed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 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-20050197339-A1 Di-substituted pyrrolotrizine compounds ERBB2, ERBB4, EGFR TP53 172/4885MEN1 2876/4885KMT2A 1877/4885

“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.